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1
A β-Hairpin Comprising the Nuclear Localization Sequence Sustains the Self-associated States of Nucleosome Assembly Protein 1
2
A β-lactam-azasugar hybrid as a competitive potent galactosidase inhibitor
3
A β-N-acetylhexosaminidase from Symbiobacterium thermophilum; gene cloning, overexpression, purification and characterization
4
A β-sheet peptide inhibitor of E47 dimerization and DNA binding Original Research Article
5
A β-sitosterol assay for fine-root mass in soils
6
A β-sitosterol assay for fine-root mass in soils
7
A β-spectrometer for searching effects of finite neutrino masses
8
A β-spectrometer for searching effects of finite neutrino masses
9
A β-xylosidase from cell wall of maize: Purification, properties and its use in hydrolysis of plant cell wall
10
A γ-ray background model for Monte Carlo simulations
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A γ-ray background model for Monte Carlo simulations
12
A γ-ray detector array for joint spectroscopy experiments at the JAERI tandem–booster facility
13
A γ-ray detector array for joint spectroscopy experiments at the JAERI tandem–booster facility
14
A γ-ray irradiation route to fabricate monodisperse zinc sulfide hollow spheres using silica as templates
15
A γ-ray telescope for on-line measurements of low boron concentrations in a head phantom for BNCT
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A γ-ray telescope for on-line measurements of low boron concentrations in a head phantom for BNCT
17
A γ-ray tracking algorithm for the GRETA spectrometer
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A γ-ray tracking algorithm for the GRETA spectrometer
19
A γ-tubulin antibody against a plant peptide sequence localises to cell division-specific microtubule arrays and organelles in plants
20
A γ-turn induced by a highly constrained cyclopropane analogue of phenylalanine (c3diPhe) in the solid state
21
A δ34S isoscape of total sulphur in soils across Northern Ireland
22
A δf particle method for gyrokinetic simulations with kinetic electrons and electromagnetic perturbations
23
A δ-shock maintenance model for a deteriorating system
24
A ε-PROJECTIVELY FLAT CONNECTION ON KENMOTSU MANIFOLDS
25
A ϑ method-based numerical simulation of crack growth in linear elastic fracture
26
A κ-entropic approach to the analysis of the fracture problem
27
A λ-lemma for foliations
28
A λ-MnO2-based graphite–epoxy electrode as lithium ion sensor
29
A ΛΛΛΛ-M4L6 tetrahedral manganese cage: Stereoselective synthesis and captured anion exchange
30
A μ+ SR study of ferromagnetic exchange in the fullerence charge transfer salt TDAE-C60
31
A μ-analysis approach to power system stability robustness evaluation
32
A μ-analysis approach to power system stability robustness evaluation
33
A μ-oxo diiron(III) complex with a short Fe–Fe distance: crystal structure of (μ-oxo)bis[N,N′-o-phenylenebis(salicylideneiminato)iron(III)]
34
A μSR study of the spin-crossover Original Research Article
35
A ν-twin support vector machine (ν-TSVM) classifier and its geometric algorithms
36
A π-electron donor–acceptor complex of ethene and iodine monochloride: geometry, binding strength and charge redistribution determined by rotational spectroscopy
37
A π-Helix Switch Selective for Porphyrin Deprotonation and Product Release in Human Ferrochelatase
38
A Ψ is just a Ψ? Pedagogy, Practice, and the Reconstitution of General Relativity, 1942-1975
39
A  zero­one  programming  model  for  RNA  structures  with arc­length 4
40
A Novel Scheme for Optimal Control of a Nonlinear Delay Differential Equations Model to Determine Effective and Optimal Administrating Chemotherapy Agents in Breast Cancer
41
A Nobel Lecture: “Synthetic metals”: novel role for organic polymers
42
A 3Π0+–X 1Σ+0+ and B 3Π1–X 1Σ+0+ transitions of GaI: an MRDCI study
43
A chlorine isotope study of DSDP/ODP serpentinized ultramafic rocks: Insights into the serpentinization process
44
A&R SECTION
45
A(2)2 parafermions: a new conformal field theory Original Research Article
46
A(870)E mutation of the androgen receptor gene in a patient with complete androgen insensitivity syndrome and sertoli cell tumor
47
A(e,e′p) reactions at GeV energies Original Research Article
48
A(nother) characterization of intuitionistic propositional logic Original Research Article
49
a(x)-Convex Functions and Their Inequalities
50
A*-based key tree structure generation for group key management in wireless sensor networks
51
A,B,Cs of Caustic Ingestions in Suicidal Adults
52
A. Activated carbon; C. Adsorption; D. Adsorption properties; Microporosity
53
A. Alexander and J. Hanson, Editors, Taking Sides: Clashing Views on Controversial Issues in Mass Media and Society (eighth ed.), McGraw-Hill, New York (2005) (384 pp., paper US$ 25).
54
A. Alexandrou, K. Field and H. Mitchell, Editors, The Continuing Professional Development of Educators: Emerging European Issues, Symposium Books, Oxford (2005) ISBN 1-87392-725-8 (152pp., price £24).
55
A. Åslund, Building Capitalism: The Transformation of the Former Soviet Bloc, Cambridge University Press, Cambridge (2002) 508 pp ., £ 65/22.99, ISBN 0-521-80139-7 (hardback), 0-521-80525-2 (paperback).
56
A. Asonuma, Y. Fang and R. Rousseau, ‘Reflections on the age distribution of Japanese scientists’. Journal of the American Society for Information Science and Technology57(3) 2006, 342–346
57
A. Awotona, Reconstruction After Disaster: Issues and Practices.: Ashgate, Aldershot, 1997, xx + 179 pp., $59.95
58
A. B. Atkinson, The Economic Consequences of Rolling Back the Welfare State
59
A. B. Filho and L. Amorim, Doenças de Plantas Tropicais: Epidemiologia e Controle Econômico
60
A. baumannii, Infection Rate and Antimicrobial Susceptibility in an Iranian Tertiary Care Hospital
61
A. Bejan, S. Lorente, Design with Constructal Theory, John Wiley & Sons, Hoboken, NJ, 2008, 528 pages, ISBN:978-0-471-99816-7.
62
A. Berger, A. Delbrück, P. Brenner and R. Hinzmann, Editors, Dupuytrenʹs Disease: Pathobiochemistry and Clinical Management, Springer-Verlag, Paris (1994) ISBN 3-540-57239-2.
63
A. Biggs, Mastitis in Cattle, 1st ed., Crowood Press, Wiltshire UK, 2009, ISBN9781847970718, 208 pp.; £19.95 (hard)
64
A. Bultheel, P. González-Vera, E. Hendriksen, and O. Njåstad, Orthogonal Rational Functions Review Article
65
A. C. Aitken and the consolidation of matrix theory
66
A. Clarke, P. Allen, S. Anderson, N. Black and N. Fulop, Editors, Studying the Organisation and Delivery of Health Services: A Reader, Routledge, London (2004) ISBN 0-415-34071-3 (hbk), 0-415-34072-1 (pbk, £18.99).
67
A. Coulson, N. Lewis, An Atlas of Interpretative Radiographic Anatomy of the Dog and Cat, 2nd ed., Wiley Blackwell, 2008, ISBN1405138998, 664 pp.; £115.00 (hard)
68
A. Davis, V. Tschudin, L. de Raeve (Eds.), Essentials of Teaching and Learning in Nursing Ethics: Perspectives and Methods, Churchill Livingstone, Elsevier, Edinburgh, London, New York, Oxford, Philadelphia, St. Louis, Sydney, Toronto (2006). ISBN 0 443 0
69
A. Delgado, C. Kambhampati, K. Warwick
70
A. Denver Russell
71
A. Diefenbacher, Editor, Consultation–liaison psychiatry in Germany, Austria and Switzerland, Karger, Basel (2004) €114.50, 208 pages.
72
A. Dutta, C. V. Ramakrishnan
73
A. Edward Maumenee (1913–1998)
74
A. Electronic materials; B. Schottky diode; D Electrical properties
75
A. Elitzur, S. Dolev and N. Kolenda, Editors, Quo Vadis Quantum Mechanics?, Springer, Berlin, Heidelberg, New York (2005) ISBN 3-540-22188-3 (61 figs., 421pp., $ 59.95, Hardcover).
76
A. Fink, Evaluation fundamentals (2nd ed.), Insights into the outcomes, effectiveness, and quality of health program, Sage, Thousand Oaks, CA (2005).
77
A. Fink, How to Conduct Surveys: A Step-by-Step Guide (3rd ed.), Sage Publications, Thousand Oaks, CA (2006) ISBN 1-4129-1423-X (softcover) 107 pp., $29.95.
78
A. Floyd, R. Mansmann (Eds.), Equine Podiatry: Medical and Surgical Management of the Hoof, Elsevier Saunders, 2007, ISBN 0721603831, 480pp; £58.99 (hard)
79
A. Frew, Information and Communication Technologies in Tourism, SpringerWien, New York (2005) ISBN 3211241485 (576pp., €128, pbk).
80
A. Fyall and B. Garrod, Tourism Marketing: A Collaborative Approach, Channel View Publications, Clevedon (2005) ISBN 1-87315-089-X (xvi+383pp., Paperback).
81
A. Giroud, Transnational Corporations, Technology and Economic Development: Backward Linkages and Knowledge Transfer in South East Asia, Edward Elgar, Cheltenham, UK (2003) (386 pp., price $115, ISBN 1-840-64907-0)..
82
A. Gough, Differential Diagnosis in Small Animal Medicine, Blackwell Publishing, 2007, ISBN 9781405132527, 480 pp; £29.99 (soft)
83
A. Greiner, W. Semmler and G. Gong, The Forces of Economic Growth—A Time Series Perspective, Princeton University Press, Princeton and Oxford (2005) (187 pp., ISBN 0-691-11918-X).
84
A. H. Zewail: Research collaborator par excellence
85
A. Hesse, R. Neiger, A Colour Handbook of Urinary Stones in Small Animal Medicine, Manson Publishing, London, 2009, ISBN9781840761283, 176 pp.; £34.95 (hard)
86
A. Hirose, Complex-Valued Neural Networks, World Scientific, Singapore, ISBN 981-238-464-2, 981-238-561-4 (Paperback), 2003
87
A. Hotson-Moore, S. Rudd (Eds.), BSAVA Manual of Canine and Feline Advanced Veterinary Nursing, 2nd ed., BSAVA, Gloucester, 2008, ISBN9780905214924, 341 pp.; £70.00 (soft)
88
A. I. Stepanets,Classification and Approximation of Periodic Functions
89
A. J. Hoffman′s Theorem and Metric Projections in Polyhedral Spaces
90
A. James Hammerton and Alistair Thompson, Ten Pound Poms: Australiaʹs Invisible Migrants, Manchester University Press, Manchester (2005) 388 pages, £14.99 paperback.
91
A. Lanza, A. Markandya and F. Pigliaru, The Economics of Tourism and Sustainable Development, Fndazione Eni Enrico Mattei and Edward Elgar Publishing, Cheltenham, UK (2005) ISBN 1-84542-401-8 (315pp. £55 (hbk)).
92
A. Libai, J.G. Simmonds. The Nonlinear Theory of Elastic Shells, Second edition (Cambridge University Press, 1998, Cambridge, UK; ISBN 0 521 47236 9 hardback)
93
A. Michel Paradis, A Neurolinguistic Theory of Bilingualism, John Benjamins Publishing Company, Amsterdam/Philadelphia (2004) 293 pages, ISBN: 1 55619 739 X, US, paperback..
94
A. Oldfield, Interactive Music Therapy in Child and Family Psychiatry, Jessica Kingsley, Philadelphia (2006) 224 pp., Price: $29.95, Paperback.
95
A. Oppelt, Editor, Imaging systems for medical diagnosis, Wiley, Hoboken (NJ) (2006) ISBN 389 578 2262 996 pages, 666 illustrations, cloth price US$145.
96
A. Patel, P. Forsythe, Saunders Solutions in Veterinary Practice: Small Animal Dermatology, Elsevier, London, 2008, ISBN9780702028700, 388 pp.; £43.99 (paper)
97
A. Pierce and N. Brenman, Principles and Practice of Group Accounts: A European perspective, Thomson Learning, London (2003) (XX+564 pp.).
98
A. Ramamoorthy (Ed.), NMR spectroscopy of biological solids, CRC Press, Boca Raton, FL, USA, 2006, (vii+353 pp, £63.99, ISBN: 1-57444-496-4).
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A. Ramamoorthy (Ed.), NMR spectroscopy of biological solids, CRC Press, Boca Raton, FL, USA, 2006, (vii+353 pp, £63.99, ISBN: 1-57444-496-4).
100
A. Riccio Cynthia, R. Reynolds Cecil and A. Lowe Patricia, Clinical Applications of Continuous Performance Tests: Measuring Attention and Impulsive Responding in Children and Adults, John Wiley & Sons Inc., New York (2001).
101
A. Richard Newton: Technologist with a Mission
102
A. Richard, The Reluctant Economist: Perspectives on Economics, Economic History and Demography, Easterlin Cambridge University Press, Cambridge, UK (2004) 284 + xvii pp., Index, £45.00, ISBN 0-521-82974-7.
103
A. Rijnberk, H.S. Kooistra (Eds.), Clinical Endocrinology of Dogs and Cats, second ed., Schlütersche Verlagsgesellschaft mbH & Co., Hannover, 2010, ISBN978-3-8999-058-0, 338 pp.; £109.00 (hard)
104
A. S. Byatt’s Possession and Historiographic Metafiction
105
A. Sampath Kumar, Editor, Techniques in Valvular Heart Surgery, CBS Publishers and Distributors, New Delhi, India (2007) 88 pp, illustrated, ISBN: 81-239-1486-5.
106
A. Scriven and S. Garman (Eds.), Promoting health: global perspectives Palgrave MacMillan, 2005, ISBN 1-4039-2137-7
107
A. Sethi, T. Kaus, Practical Implant Dentistry, Quintessence Books (Price £98, ISBN 1-85097-061-0).
108
A. Sigel, H. Sigel, R.K.O. Sigel (Eds.), “Cadmium: From Toxicity to Essentiality”, Metal Ions in Life Sciences (ISSN: 1559-0836), vol. 11, 2013, Springer S+B Media, Dordrecht, The Netherlands, 560 pp., ISBN: 978-94-007-5178-1, , Hardback, Price: €181.85,
109
A. Steptoe, Editor, Depression and physical illness, Cambridge University Press, Cambridge (UK) (2007) £45.00, 420 pages.
110
A. V. Syromyatnikov and S. V. Maleyev
111
A. van Amerongen, D. Barug, M. Lauwaars, Rapid Methods for Biological and Chemical Contaminants in Food and Feed, Wageniningen Academic Publishers, The Netherlands, 2005 (416pp., €85, ISBN 9076998531)
112
A. Wieckowski
113
A.A. MacKenzie, Biotechnology Applications in Animal Health and Production. Revue scientifique et technique (International Office of Epizootics), vol. 24 (1) April 2005. ISBN 02531933. World Organisation for Animal Health. 450 pp. €50.
114
A.B. Berger, Ocean Travel and Cruising: A Cultural Analysis, Haworth Hospitality Press, New York (2004) ISBN 0-7890-2197-8 (131pp., US$24.95 (pbk)).
115
A.B. Wolfson, G.W. Hendey and P.L. Hendry et al., Harwood-Nussʹ Clinical Practice of Emergency Medicine (4th Edition), Lippincott Williams & Wilkins (2005) 2080 pages, $199.00, ISBN 0-7817-5125-X.
116
A.C. Cassells, Pathogen and Microbial Contamination Management in Micropropagation
117
A.c. conductivity and dielectric studies of silver-based fast ion conducting glass system
118
A.c. conductivity and relaxation in LiCoVO4 ceramics
119
a.c. Conductivity behavior of a hot pressed [PbTiO3–PbZrO3–PbCuNbO3] ferroelectric ceramic Original Research Article
120
A.C. Conductivity of C60-doped poly(o-ethylaniline)
121
A.c. conductivity of poly(N-methylpyrrole)
122
A.c. conductivity studies on Al/MoO3/Al sandwich structures
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A.c. conductivity studies on Al/MoO3/Al sandwich structures
124
A.c. impedance analysis of electrochemical lithium intercalation into highly oriented pyrolytic graphite
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A.c. impedance behaviour of processes involving adsorption and reactivity of guanidonium-type cations at Pt(1 0 0) surface
126
A.c. impedance of frozen junction polymer light-emitting electrochemical cells
127
A.c. impedance studies of the mechanism of electron transfer across TCNQ modified Au/thiol/lipid bilayer
128
A.c. voltammetric evidence for the transient adsorption of asymmetric ions in the transfer across the nitrobenzene¯water interface
129
A.E. monitoring of ultrasonic machining of Al2O3/LaPO4 composites
130
A.F.W. Schimper: from the ‘oecology of plant distribution’ to the ‘functional ecology of terrestrial ecosystems’
131
A.G. Dore and B. Vining, Editors, Petroleum Geology: NW Europe and Global Perspectives. A.G. Dore and B. Vining, editors., Proceedings of the 6th Petroleum Geology Conference (2005) (ISBN 1-86239-164-5 April 2005; Hardback and DVD 1700 pages in two volume
132
A.H.A. Dugdale, Veterinary Anaesthesia: Principles to Practice, first ed., Wiley-Blackwell, Oxford, 2010, ISBN978-1-4051-9247-7, 392 pp.; £39.99 (soft)
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A.I.
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A.I.
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A.I.
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A.I.
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A.I.K.E.F.: Adaptive hybrid model for space plasma simulations Original Research Article
138
A.J. Barrett, N.D. Rawlings, J.F.Woessner (Eds.), Handbook of Proteolytic Enzymes, Second Edition (2 Volumes) Elsevier Academic Press, London, UK, 2004(xxxv+2140 pp., £274.95, ISBN 0-12-079610-4).
139
A.J.D. Lambert and S.M. Gupta, Disassembly Modeling for Assembly, Maintenance, Reuse, and Recycling , CRC Press, Boca Raton, Florida, USA (2005) ISBN 1-57444-334-8.
140
A.J.P. Martin (1910–2002)
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A.M. Llorente, Editor, Principles of Neuropsychological Assessment with Hispanics: Theoretical Foundations and Clinical Practice, Springer, New York, NY (2008) 234 pp.
142
A.M. Selvam, Chaotic Climate Dynamics , Luniver Press, London (2007) ISBN 13: 978-1-905986-07-1; 10: 1-905986-07-6.
143
A.M. Stephen, G.O. Phillips, P.A. Williams (Eds.), Food Polysaccharides and Their Applications, 2nd ed., CRC Press, Boca Raton, FL, USA, 2006 (x+733 pp, £109-00, ISBN 0-8247-5922-2).
144
A.M.Y. Lin and P.W. Martin, Editors, Decolonisation, Globalisation: Language-in-Education Policy and Practice, Multilingual Matters, Clevedon (2005) ISBN 1-85359-825-9 (pbk), 1-85359-824-0 (pbk) (price £49.95 hbk, £19.95 pbk, pages xix+204).
145
A.N Publisher Journaltitle year VOL ISSUE A.NO Titel Authors Abstract page File Name Folder name JID JN_ID DOC_ID
146
A.N. Link and D.S. Siegel, Technological Change and Economic Performance, Routledge (2003) (176 pp., £ 65.00, ISBN 0415 271398).
147
A.P. Chekhov’s Works in Interpretation by F.E. Paktovsky
148
A.P. Robinson-Pant, Cross-cultural Perspectives on Educational Research, Open University Press/McGraw-Hill Publications, Maidenhead, UK (2005) ISBN 13-9780-1352 14563 (pbk) (9780 3352 14570 (hbk), 208pp).
149
A.P. Wilson, Library web sites: Creating online collections and services, American Library Association, Chicago (2004) ISBN 0838908721 160 pp. $35.00 soft.
150
A.p.–t.p.r. investigation of the effect of nitric acid leaching on the sulphur distribution in coal
151
A.R. Andreasen, Social marketing in the 21st Century, Sage Publications Inc., Thousand Oaks, CA (2006) 264 pp., US$ 34.95
152
A.R. Roberts, Editor, Battered women and their families: Intervention strategies and treatment programs (3rd Edition), Springer Publishing Company, New York (2007) $65.00 ISBN:978-0-8261-4592-5, 652 pp..
153
A.R.T. (Associated Reversible Transformations) as a basis for thermodynamic cycles analysis
154
A.S. Issar and M. Zohar, Climate Change – Environment and Civilization in the Middle East , Springer Verlag, Heidelberg (2004) (252 pp., 106.95 €).
155
A.V. Lotov, V.A. Bushenkov and G.K. Kamenev, Interactive Decision Maps: Approximation and Visualization of Pareto Frontier, Kluwer Academic Publishers (2004) ISBN 1-4020-7631-2.
156
A.W.F. Edwards, Cogwheels of the Mind. The Story of Venn Diagrams, The Johns Hopkins University Press, Baltimore and London (2004) ISBN 0-8018-7434-3 xvi + 110 pp. $25.
157
A.Y. Tamime (Ed.), Structure of Dairy Products, Blackwell Publishing Ltd., Oxford, UK, 2007 (xvi + 288 pp., £105.00, ISBN 1-4051-2975-6).
158
A/D and D/A conversion for telecommunication
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A/D clipping effects on STBC scheme in receivers employing direct conversion structure
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A/D converters nonlinearity measurement and correction by frequency analysis and dither
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A/D Restrictions (Errors) in Ultra-WidebandImpulse Radios
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A/E/C TEAMWORK: A COLLABORATIVE DESIGN AND LEARNING SPACE
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A/E/C TEAMWORK: A COLLABORATIVE DESIGN AND LEARNING SPACE
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A: Delirium in the general hospital, 17.06.00, 14:00–15:30
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A:A and A:G base-pairs at the ends of 16 s and 23 s rRNA helices
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A;R title page
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a0(980)→γγ and f0(980)→γγ: a consistent description
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a0(980)–f0(980) mixing and isospin violation in the reactions pN→da0, pd→3He/3H a0 and dd→4He a0
169
A1 Genetic factors rather than blood pressure determine the development of proteinuria after unilateral nephrectomy (UNX) in rats
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A1 receptors mediate delayed remote preconditioning, possible involvement of mapk
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A1(1) admissible representations — fusion transformations and local correlators Original Research Article
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a1(1260)π dominance in the process e+e−→4π at energies 1.05–1.38 GeV
173
A1. Differential sensitivities of the cardiac (NCX1.1) and vascular (NCX1.3) isoforms of the NA+-CA2+ exchanger to fatty acids
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A1/A2 polymorphism of glycoprotein IIIa and association with excess procedural risk for coronary catheter interventions: a case-controlled study
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A10. The effect of phosphodiesterase V inhibitors on alveolar macrophage function
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A101. Uncovering the mechanisms of CapZ control of myofilament activation
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A102. Consequences of pressure overload in cardiac myosin binding protein-C knockout mice
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A103 (1997) 18–27 in heavily congested cities
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A103. Adverse effects of the Atkins Diet on myocardial metabolic and functional responses
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A104. Time-course studies implicate the benefits of d-propranololʹs antioxidant/lysoso-motropic effects on Fe-loaded I/R hearts
181
A105. Hypertension decrease serum leptin concentrantion in non-obese rats
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A106. PPAR_α activation is associated with angiotensin II induced leptin production in cardiomyocyte mediated by JAK_STAT  
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A107. Intrinsic signals of myocardial apoptosis  
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A108. Effects of ischemia and reperfusion on calcium homeostasis are exacerbated by advanced age in rat myocytes
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A109. Voltage-dependent hysteresis of human pacemaker channels expressed in HEK293 cells  
186
A11. Beta-adrenergic regulation of cyclin dependent kinase1 (CDK1) in the mouse heart
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A110. Preconditioning enhances survival and upregulates cytoprotective proteins in bone marrow stem cells in ischemic environment  
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A111. Angiopoietin-2, unlike angiopoietin-1, mediates potent neovascularization in response to hindlimb ischemia and exhibits interactions with VEGF
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A112. Functional assessment of bone marrow-derived endothelial progenitor cells in diabetes and the metabolic syndrome
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A113. Ultrastructural and immuno-characterization of cardiac progenitor cells in the embryonic myocardium  
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A114. Regulation of T-type calcium channel in rat cardiomyocytes by oxidative stress
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A115. Partial analysis of the gene encoding the sarcolemmal membrane associated proteins (SLMAPs) in human dilated cardiomyopathy  
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A116. The cytoplasmic domain of phospholamban inhibits serca activity by direct interaction alone
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A1166C polymorphism of the angiotensin II type 1 receptor gene and risk of adverse events after coronary catheter interventions
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A117. Mineralocorticoid receptor densities increase in the brain, heart and kidneys after myocardial infarct in rats  
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A118. Selective PKCε inhibition at reperfusion reverses the cardioprotective effects of ischemic preconditioning  
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A119. Cardioprotective effects of exercise training on the altered SR Ca2+-uptake function in ovariectomized rats  
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A12. Thyroid hormone down regulates the expression and function of CaM kinase II in the rabbit heart
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A120. Activation of the calcineurin-NFAT pathway in desminopathy mouse hearts: The role of proteasomal malfunction  
200
A121. Post infarction saturated fat feeding enhances mitochondrial function but does not exacerbate LV dysfunction  
201
A122. D(+)β-3,4-dihydroxyphenyl sodium lactate attenuates myocardial stunning with minimal effects on cardiac energetics
202
A123. Ex vivo infection of coronary artery by Chlamydia pneumonia induces to significant structural injury of the intimal layer and plaque-like pathology
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A124. Gene expression profiling of cardiac muscle in response to ischemia in atkins diet conditions
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A125. Extracellular heat shock protein 60 binds to cardiac myocytes and induces apoptosis
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A127. Design of an in vitro microfluidic cell culture system to study aortic valve endothelial cells under shear stress  
206
A128. Effects of ovariectomy on myofilament function and normalization with short-term α-oestrogen receptor activation
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A129. Bradykinin cardioprotection is mediated by receptor internalization and mitoKATP opening  
208
A13. A study of effects of fruit intake on cardiovascular risk factors in childen-pilot study
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A13. Enhanced expression of CaM kinase II and ryanodine receptor in monocrotaline-induced right ventricular hypertrophy  
210
A130. Activation of nuclear transcription factors may regulate norepinephrine-induced phospholipase C gene expression  
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A132. An adaptive role of adenosine receptors to alpha1 adrenoceptor-mediated cardiomyocyte hypertrophy
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A132. The role of chronic exogenous testosterone in myocardial function following acute ischemia-reperfusion  
213
A133. DADLE but not bradykinin activates Src and PI3-kinase through the EGF receptor
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A134. 3-Deazaadenosine prevents arterial remodeling and hypertension in hyperhomocysteinenimic mice  
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A134. Antihypertensive effects of vascular endothelial growth factor 121 on hypertension induced by adenovirus mediated soluble fms-like tyrosine kinase-1 (sFlt-1) gene transfection in rat  
216
A135. Contribution of T-type calcium channels to afterload-induced exacerbation of myocardial infarct size
217
A136. The effect of percutaneous coronary intervention on transcoronary lipoprotein-associated phospholipase A2 (Lp-PLA2) concentration  
218
A137. Decreased VHL results in VEGF up-regulation in the magnesium deficient rat heart  
219
A137. Effects of PPARα activation on mitochondrial function in the heart
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A138. Microfabricated poly(ethylene glycol) templates for cell tri-culture in cardiac tissue engineering
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A14. Chronic urotensin II alters smooth muscle response of the thoracic aorta in animals subjected to volume overload
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A140. Effect of Saponins from Anemarrhena asphodeloides bunge on blood lipid concentration of hyperlipemia quail
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A141. Effect of Saponins from Anemarrhena asphodeloides Bunge on hemorheology and microcirculation in quails
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A142. Depressed Ca2+ cycling by cardiac sarcoplasmic reticulum (SR) following chronic blockade of L-type Ca2+ channels  
225
A1427S Missense Mutation in SCN5A Causes Type 1 Brugada Pattern, Recurrent Ventricular Tachyarrhythmias and Right Ventricular Structural Abnormalities
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A15. Trigger and mediation phase of chronic opioid preconditioning are mediated via divergent pathways
227
A154. Protease activated receptor-2 (PAR-2) contribute to leukocyte adhesion and neointima formation  
228
A16. Calmodulin triggers Cardiac SR Ca2+ pump function by disrupting Ca2+-ATPase-phopholamban interaction
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A17. High Resolution Three-Dimensional Reconstruction of the Human Mitral Annulus  
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A18. Borderzone myocardial dyssynchrony following myocardial infarction: A real-time three-dimensional echocardiographic study  
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A19. Modification of intracellular calcium by a Na+-H+ exchange inhibitor, methyl isobutyl amiloride  
232
A1-Alkhalaf vernacular landscape: the planning and management of land in an insular context, Asir region, southwestern Saudi Arabia
233
A1c and mortality: An unexpected relationship in patients with advanced heart failure
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A1-representability of hermitian k-theory and Witt groups
235
A1-Type Overgroups of Elements of Order p in Semisimple Algebraic Groups and the Associated Finite Groups Original Research Article
236
A1-Type Overgroups of Elements of Order p in Semisimple Algebraic Groups and the Associated Finite Groups Original Research Article
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A2 ×2Game without the Fictitious Play Property
238
A2 adenosine receptor contributes to the development of cow’s milk protein allergy via regulating regulatory T cells
239
A2 Chain: A Blockchain-Based Decentralized Authentication Scheme for 5G-Enabled IoT
240
A2 → B2 → L21 ordering transitions in Au–Cu–Al alloys
241
A2. The Gisenoside compound k could increase contraction force of isolated toad heart
242
A20 Attenuates Lipopolysaccharide-Induced Inflammation Through MAPK/ERK/JNK Pathway in LX-2 Cells
243
A20. Cardiomyocyte apoptosis in volume overloaded hearts is mediated by an Akt-dependent signaling pathway
244
A21. Cardiac excitation-contraction coupling is altered in ventricular myocytes from aged male but not female mice
245
A22. Ischemia-reperfusion decreases the levels of o-palymitoylated form of PDHβ, and triggers phosphorylation of PDHβ
246
A23. Altered retinoic acid signalling and apoptosis in adriamycin induced heart failure  
247
A24. Probucol treatment of rats fortifies the heart against oxidative stress  
248
A25. Significance of changes in TNF-α AND IL-10 levels in heart failure subsequent to myocardial infarction  
249
A26. Increased LV hypertrophy and mortality in hypertensive Dahl salt sensitive rats fed high fructose diets  
250
A27. Resveratrol mediated cardioprotection in STZ-induced diabetic rat model
251
A28. Protection of ischemic myocardium in hypercholesterolemic rats is through AKT/eNOS activation: combination therapy with resveratrol and statin
252
A280V Polymorphism in the Histamine H3 Receptor as a Risk Factor for Migraine
253
A29. Nicorandil opens mitochondrial KATP channels both directly and through a NO-PKG-dependent pathway
254
A2M—A program to compute all possible mineral modes from geochemical analyses
255
A2-MAKE: An efficient anonymous and accountable mutual authentication and key agreement protocol for WMNs
256
A2-planar algebras II: Planar modules
257
A2TiF5·nH2O (A=K, Rb, or Cs; n=0 or 1): Synthesis, structure, characterization, and calculations of three new uni-dimensional titanium fluorides
258
A2-web immanants
259
A3 adenosine receptors protects the myocardium via recruitment of PI3K-AKT-INOS cell survival pathway
260
A3 receptor agonist, Cl-IBMECA, potentiate glucose-induced insulin secretion from MIN6 insulinoma cells possibly through transient Ca^2+ entry
261
A3 Suppression of somatic growth and enhancement of renin distribution by blockade of the type 1-angiotensin II receptor (AT-1) in newborn AT-1A deficient mice
262
A3. A high-fat diet prevents lv hypertrophy and contractile dysfunction in dahl rats independent of alterations in mitochondrial fatty acid metabolism
263
A30. Identification of KATP channels as mediators of antihypertrophic effects of adenosine receptor activation  
264
A31. Beta-AR stimulation exacerbates detrimental effects of ischemia and reperfusion in ventricular myocytes  
265
A32. Escin could attenuate myocardiac ischemia injury by increasing antioxidant action and inhibiting the release of tumor necrosis factor
266
A33. Estrogen loss increases age-related vascular dysfunction in female rats  
267
A34. Development of novel matrix metalloproteinase inhibitors and their effects on isolated stunned hearts  
268
A340-500/600: the flagship of today
269
A35. Prevention of pore-formation by voltage-dependent anion channel protects against mitochondrial dysfunction and cell death  
270
A357 thixoforming feedstock produced by cooling slope casting
271
A36 and B36TC Bonanzas get Top Prop conversions
272
A36. Na+/H+ exchanger overexpression exacerbates cardiac hypertrophy and [Ca2+]i during ischemia/reperfusion
273
A38. Functional coupling of SK2 channel to L-type calcium channel via α-actinin2 in cardiac myocytes
274
A39. Sildenafil citrate (viagra), a selective phosphodiesterase type 5 inhibitor is a powerful pro-angiogenic agent  
275
A3CRank: An adaptive ranking method based on connectivity, content and click-through data
276
A3N: An artificial neural network n-gram-based method to approximate 3-D polypeptides structure prediction
277
A3Nb5O11(PO4)2 (A = Tl, K, Na) compounds: synthesis, crystal and vibrational characterization, conductivity study
278
A3XX: technical and design progress
279
A4 Inducible hypertension in transgenic mice containing the human angiotensinogen gene under the control of the kidney androgen-regulated protein promoter
280
A4. Abnormal pattern of myocardial perfusion in warfare patients intoxicated with mustard gas
281
A40. Anisotropic response of cardiac myocytes to cyclic strain  
282
A41. Differential Age and Gender Response to Ischemia: Efficacy of cardioprotection and the opening of mitoKATP channels
283
A419C Polymorphism of Glyoxalase I Gene: Renal Function and Histological Findings at 12 Months after Renal Transplantation
284
A42. Effects of 20(S)-ginsenoside Rg3 on myocardial calcium transport and cardiac function in ischemic rats  
285
A-420983: a potent, orally active inhibitor of lck with efficacy in a model of transplant rejection
286
A43. Exosome dependent HSP60 secretion in rat cardiac myocytes
287
A44. Properties OF Ca spark voids in normal and failing myocytes revealed by flash photography
288
A45. Effects of D(+)β-3,4-dihydroxyphenyl sodium lactate on cardiac and vascular remodeling  
289
A46. Role of PI3-kinase isomers in myocardial ischemic preconditioning
290
A47. Decreased levels of non-nuclear muscle LIM protein are associated with cardiac dysfunction and heart failure
291
A48. Lysosomotropic and antioxidant mechanisms of protection by beta blockers
292
A49. TLR4 signaling modulates myocardial inflammatory response to oxidant stress
293
A5. Correlative study comparing current different methods of calculating left ventricular ejection fraction
294
A50. Spatial transcriptional profiling of aortic valve interstitial cells  
295
A51. Adrenergic stimulation unmasks impaired dynamic QT interval adaptation to abrupt heart rate change in early bradycardic remodeling  
296
A52. Chronic volume overload increases the vulnerability of cardiac mitochondria without affecting their basal functions
297
A53. IGF-1 protects myocytes from hypoxia-reoxygenation injury by rescuing mitochondria function
298
A549 lung cell line activity of biosynthesized silver nanoparticles using Albizia adianthifolia leaf
299
A55. Empty-beating perfusion improves preservation of hypertrophied hearts for valve surgery  
300
A56. PKC-ε mediates multiple endothelin-1 actions on systolic calcium and contractility in ventricular myocytes
301
A57. Factor VIIa protects human endothelial cells from hydrogen peroxide-induced cell death through its binding of tissue factor and activation of PAR-2 receptors
302
A58. IB-MECA reduces reperfusion injury by inhibiting mitochondrial permeability transition pore opening via glycogen synthase kinase 3β
303
A59. L-type Ca current is regulated via both PTX-sensitive and -insensitive pathways during alpha1-adrenoceptor stimulation
304
A5-YEAR EVALUATION an‎d RESULTS OF TREATMENT OF CHRONIC LOCKED DISLOCATIONS OF THE SHOULDER JOINT
305
A6. An assessment of the role of reactive oxygen species in norepinephrine-induced apoptosis and hypertrophy of H9c2 cardiac myoblasts
306
A60. Inhibition of NHE-1 attenuates MAPKs upregulation in hypertrophied car-diomyocytes through mitochondria
307
A61. Ablation of cMyBP-C diminishes in vivo responsiveness to beta-adrenergic stimulation
308
A62. Atrial and ventricular inflammatory responses to zidovudine (AZT) in normal and Mg-deficient animals
309
A-62176, a potent topoisomerase inhibitor, inhibits the expression of human epidermal growth factor receptor 2
310
A63. Selective activation of PI3Kα contributes to left ventricular hypertrophy during cardiac recovery from heart failure
311
A64. Total liquid ventilation rapidly cools the heart to protect it from infarction  
312
A65. Reduced sensitivity to catecholamines protects aging heart from pro-arrhythmic effects of β-ar stimulation
313
A66. Collagen Iα2 gene expression is regulated by the bHLH transcription factor scleraxis
314
A67. Sarcomere length dependent modulation of stretch activation in myocardium  
315
A68. Myocardial roteome profiling in a swine ischemic-induced heart failure model
316
A69. Arteriovenous shunt induces arteriogenesis in the ischemic myocardium
317
A6-extensions of image and the image cohomology of image Original Research Article
318
A6-invariant ovoids of the Klein quadric
319
A7. Nanomechanical assays for detection of atlered protein function in cardiomyopathies
320
A70. Simultaneous perfusion is not superior to antegrade perfusion during beating heart valve surgery  
321
A71. Identification of scarred myocardium using first pass MRI and delayed enhancement MRI  
322
A72. Mitochondrial responses of neonatal rat ventricular myocytes exposed to LPS
323
A73. Characterization of a novel splice variant of cyclin D2 in the mouse heart  
324
A75. Nanoparticles: Novel cardioprotective devices that utilize a preconditioning-like mechanism
325
A76. The hydroxysafflor yellow a could inhibit the serum matrix metalloproteinase in pressure over-loaded hypertrophy sd rats
326
A77. Depressed prostacyclin production in Ang II-treated endothelial cells—association with Fe accumulation and decreased COX-1 protein
327
A78. Zac1 is a transcriptional target of the muscle-enriched transcription factor MEF2
328
A79. Role of calcium in cardiotrophin-1 induced cardiac myofibroblast cell migration
329
A8. Molecular characterization of cardiac progenitor cells in embryonic ventricular myocardium
330
A80. The functional role of endoglin in mammalian cardiovascular development
331
A81. Ischemic preconditioining decreases delta PKC levels resulting in diminished translocation during reperfusion
332
A82. Bmx and c-Src mediates phosphorylation of p130Cas during cardiac hypertrophy
333
A83. PMA administered just before reperfusion salvages ischemic myocardium by an adenosine A2b-dependent mechanism
334
A84. 17β-estradiol modifies the profile of myocardial MMP and TIMP during healing post-myocardial infarction in mice
335
A85. Electrophysiological characteristics and connexin 43 in transgenic mice overexpressing the human PRKAG2 gene
336
A86. A proteomic approach for the investigation of myocardial protein changes in sepsis
337
A87. Angiotensin II-mediated apoptosis  
338
A88. Direct evidence of activation of volume regulated Cl− channels by preconditioning in cardiomyocytes
339
A89. MSCs overexpressing Bcl-2 showed antiapoptosis and improved heart function
340
A9. D(+)β-3,4-dihydroxyphenyl sodium lactate protects against myocardial ischemia-reperfusion injury in rats
341
A90. Cross-talk between endothelin receptors (ETRs) and ERBB2/4 at cardiac T-tubules
342
A91. Mechanisms and modulation of cardiac cardiolipin alterations in heart failure
343
A92. Peroxynitrite modulates 72 kD matrix metalloprotease-2 activity through S-nitrosylation of critical cysteines  
344
A93. Reperfusion events in the preconditioned heart
345
A94. Mechanisms of tnf induced IGF-1 production by human bone marrow stem cells
346
A95. Inhibition of IL-6-type cytokine signaling by oxidative stress in cardiac myocytes
347
A96. Activation of extracellular signal regulated kinase contributes to the cardioprotection by H2S preconditioning
348
A97. Beneficial effects of eplerenone on cardiac function and morphology in volume-overload-induced heart failure
349
A98. Regulation of myofilament function by PP2A is influenced by the cardiac Z-disc protein CapZ  
350
A986S polymorphism of calcium-sensing receptor
351
A986S polymorphism of the calcium-sensing receptor and circulating calcium concentrations
352
A99. Protection by constitutively active PKCε expression is blocked by Cl− channel inhibition in cardiomyocytes
353
A∞-method in Lusternik–Schnirelmann category
354
A∞-spaces and L–S category in the category of fibrewise spaces
355
AA amyloidosis and pyrin gene mutations
356
AA and ANA rats exhibit the R100Q mutation in the GABAA receptor α6 subunit
357
AA2618 and AA7075 alloys superplastic transition in isothermal hot-deformation tests
358
AA28–67 domain within MyD88 suppresses c-myc activity and expression to regulate differentiation and function of dendritic cells
359
AA7075 bit for repairing AA2219 keyhole by filling friction stir welding
360
AA-861 appears to suppress leukocyte infiltration induced by traumatic brain injury in rats
361
AAA Inc.
362
AAA+ Ring and Linker Swing Mechanism in the Dynein Motor
363
AAAI98 Robot Exhibition
364
AAAL -98 Workshops
365
AAAS and public policy: speaking softly and carrying a medium-sized stic
366
AAAS calls for more gene-therapy oversight
367
AAC-concrete light weight precast composite floor slab
368
AACR2 and Metadata: Library Opportunities in the Global Semantic Web
369
AACR2 and Other Metadata Standards: The Way Forward
370
AACVPR/ACCF/AHA 2010 Update: Performance Measures on Cardiac Rehabilitation for Referral to Cardiac Rehabilitation/Secondary Prevention Services: Endorsed by the American College of Chest Physicians, the American College of Sports Medicine, the American P
371
A-adducin Gly 460Trp polymorphism and the cardiovascular risk associated with systolic pressure — a prospective population study
372
Aadenoidectomy efficacy on the extrusion of tympanostomy tube
373
AADT prediction using support vector regression with data-dependent parameters
374
AAEP Convention continues as worldʹs largest equine veterinary meeting
375
AAEP guides research
376
AAEP world outreach
377
Aage Winther (1926–2011)
378
AAI Course in Advanced Immunology
379
AAK1 Identified as an Inhibitor of Neuregulin-1/ErbB4-Dependent Neurotrophic Factor Signaling Using Integrative Chemical Genomics and Proteomics Original Research Article
380
Aalenian carbon-isotope stratigraphy: Calibration with ammonite, radiolarian and nannofossil events in the Western Tethys
381
Aalst: Acts of Evil, Ambivalence and Responsibility
382
Aalto on the Internet: architectural analysis and concept representation with computer media
383
AAMQS: a non-linear phenomenological tool
384
a-Amylase production from catabolite derepressed Bacillus subtilis KCC103 utilizing sugarcane bagasse hydrolysate
385
AAN Member Spotlight: Educating for leadership: An outreach approach
386
AAN nursing leadership: philanthropy in action
387
AAN organizational age and stage:: Reflections
388
AAO–CNTs electrode on microfluidic flow injection system for rapid iodide sensing
389
AAOP-based dynamically reconfigurable monitoring system
390
AAPG studies in geology no. 1 sequence stratigraphy in Offshore South African Divergent Basins; An Atlas on exploration for cretaceous lowstand traps by Soekor (Pty) Ltd : Edited by L. F. Brown and others Published by AAPG; 1995; 191 pp. Price: $89 (AAPG
391
AAPM protocol for 40-300 kV x-ray beam dosimetry in radiotherapy and radiobiology
392
AAPMs TG-51 protocol for clinical reference dosimetry of high-energy photon and electron beams
393
Aaptamine and related products. Their isolation, chemical syntheses, and biological activity
394
Aaptamines as sortase A inhibitors from the tropical sponge Aaptos aaptos
395
Aaptanone, a novel zwitterionic metabolite of the aaptamine class with an oxygenated 1,6-naphthyridine core from the Vietnamese marine sponge Aaptos aaptos
396
Aardvark to zulu
397
Aaron D. Cushman, A Passion for Winning: Fifty Years of Promoting Legendary People and Products, Lighthouse Point Press, Pittsburgh (2004) 261 pp., Hardcover, US$ 21.95.
398
Aaron G. Filler, Do You Really Need Back Surgery: A Surgeonʹs Guide to Neck and Back Pain and How To Choose Your Treatment Oxford University Press, Inc., New York, Price: $28.00 (USA), ISBN: 0-19-515835-0.
399
AATSR land surface temperature product algorithm verification over a WATERMED site Original Research Article
400
AAUP marketing to libraries workshop: A report
401
AAV serotype-dependent apolipoprotein A-IMilano gene expression
402
AAVI news
403
AAVI news
404
AAV–sBTLA facilitates HSP70 vaccine-triggered prophylactic antitumor immunity against a murine melanoma pulmonary metastasis model in vivo
405
Ab l-‘Abb s an-Nayr z s Exzerpte aus (Ps.- ?) Simplicius’ Kommentar zu den Definitionen, Postulaten und Axiomen in Euclids Elementa I: Eingeleitet, ediert und mit arabischen und lateinischen Glossaren versehen von Rüdiger Arnzen. Köln (Essen). 2002
406
Ab Externo Imaging of Human Episcleral Vessels Using Fiberoptic Confocal Laser Endomicroscopy
407
Ab initio – phase diagram of NaBH4
408
Ab initio (first principle) material modeling study on Lio adsorbed by palladium-cobalt (PdCo) nanoparticles
409
Ab initio 13C and 19F NMR chemical shifts calculations for halogenated propanes
410
Ab initio 2-D periodic Hartree–Fock study of Fe-substituted lizardite 1 T – a simplified cronstedtite model
411
Ab initio absorption spectra of 3-tert-butylcyclohexene
412
Ab initio adiabatic and diabatic permanent dipoles for the low-lying states of the LiH molecule. A direct illustration of the ionic character
413
Ab initio analysis of electron energy loss spectra for complex oxides
414
Ab initio analysis of electron energy loss spectra for complex oxides
415
Ab initio analysis of geometric structures of BeHen+ (n=1–12) clusters
416
Ab initio analysis of Guinier–Preston–Bagaryatsky zone nucleation in Al–Cu–Mg alloys Original Research Article
417
Ab initio analysis of proton transfer dynamics in (H2O)3H+
418
Ab initio analysis of silyl precursor physisorption and hydrogen abstraction during low temperature silicon deposition
419
Ab initio analysis of silyl precursor physisorption and hydrogen abstraction during low temperature silicon deposition
420
Ab initio analysis of the effect of strain on the density of non-equilibrium electronic states and their role in the wave model of martensitic transformations
421
Ab initio analysis of the optical, electronic and elastic properties of the hydrogen-storage single crystals LiNH2
422
Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds
423
Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds
424
Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds
425
Ab initio and B3LYP–DFT calculations of GaP− and GaP2−: the electron affinities and vibrational frequencies of GaP and GaP2
426
Ab initio and classical molecular dynamics simulations of N2 desorption from TiN(001) surfaces
427
Ab initio and classical simulations of defects in SrTiO3
428
Ab initio and crystal field studies of the Mn4+-doped Ba2LaNbO6 double-perovskite
429
Ab initio and density functional calculations of conformational energies and interconversion pathways in 1,2,3,6-tetrahydropyridine
430
Ab initio and density functional force field studies on the IR spectra and structure of diazonium dicyanomethylide (diazodicyanomethane)
431
Ab initio and density functional force field studies on the IR spectra and structure of diazonium dicyanomethylide (diazodicyanomethane)
432
Ab initio and density functional predictions of the structure, gas-phase acidity and aromaticity of 1,2-dithio-3,4-diselenosquaric acid
433
Ab initio and density functional study of barrier heights for methyl group torsion and conformational deformability in 1,4,6-trimethylnaphthalene
434
Ab initio and density functional study of substituent effects in halogenated cations of alkenes
435
Ab initio and density functional study of the 5-pentacyclo[6.2.1.13,6.02,7.04,10]dodecyl cation. A symmetrical μ-hydride bridged carbocation
436
Ab initio and density functional study of the Jahn-Teller distortion in the silane radical cation
437
Ab initio and density functional study on fullerene C44 and its derivatives
438
Ab initio and density functional theory calculation of the structure and vibrational properties of n-vertex closo-carboranes, n=5, 6 and 7 Original Research Article
439
Ab initio and Density Functional Theory Studies on Nitrosoketene Tautomers
440
Ab initio and density functional theory study of the diazene isomerization
441
Ab initio and density functional theory study of the enthalpies of formation of F2SOx and FClSOx (x=1, 2)
442
Ab initio and density functional theory study of the mechanism of synthesis of the N5+ cation
443
Ab initio and DFT calculations for the structure and vibrational spectra of cyclopentene and its isotopomers
444
Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde
445
Ab initio and DFT investigation of fluorinated methyl hydroperoxides: Structures, rotational barriers, and thermochemical properties
446
Ab initio and DFT investigations of intramolecular hydrogen bonding in 1,2-ethanediol
447
Ab initio and DFT studies for accurate description of van der Waals interaction between He atoms
448
Ab initio and DFT studies of the weakly bound nitrogen molecule complexes (N2)n (n=3–6)
449
Ab initio and DFT studies on the structure and binding interaction of M+CO2 (M=Sc, Ti, …, Zn)
450
Ab Initio and DFT studies, NBO and NICS analysis of the structures and thermodynamic properties of the decomposition ([2+2] elimination) of 3-halo-2,3-dihydrophosphinine
451
Ab initio and DFT study of molecular structure and tautomerism of 2-amino-2-imidazoline, 2-amino-2-oxazoline and 2-amino-2-thiazoline
452
Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo12O40(VO)2]5−
453
Ab initio and DFT study of the ground 3A′ potential energy surface for the O(3P)+N2O→2NO reaction
454
Ab initio and DFT study of the thermodynamic properties and nuclear magnetic resonance of (4, 4) armchair AlN nanotubes
455
Ab initio and DFT theoretical studies and rate constants calculation on the reactions O (3P) atoms with HOX (X = Cl, Br)
456
Ab initio and DFT theoretical studies of pyridoxal-50-phosphate methylamine Schiff base isomers
457
Ab initio and experimental study on the effect of Y additions on the phase formation and thermal stability of Al2O3 thin films deposited by filtered cathodic arc evaporation
458
Ab initio and kinetic calculation for the abstraction reaction of atomic O (3P) with Si2H6
459
Ab initio and kinetic calculations for the reaction of H with (CH3CH2)2SiH2
460
Ab initio and kinetics study of the ground 1A″ potential energy surface of the O(1D)+N2O→2NO, N2+O2(a1Δg) reactions
461
Ab initio and lattice dynamics studies of the vibrational and geometrical properties of the molecular complex of hydroquinone and C60
462
Ab initio and model investigation of acetylene clustering around hydrogen cyanide
463
Ab initio and Monte Carlo modeling in Fe–Cr system: Magnetic origin of anomalous thermodynamic and kinetic properties
464
Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5
465
Ab initio and perturbation treatment studies in different dielectric media
466
Ab initio and post-ab initio quantum chemical study of the heme spin states in electron transfer reactions
467
Ab initio and Raman study of medium range ordering in GeSe2 glass
468
Ab initio and RRKM calculations of o-benzyne pyrolysis
469
Ab initio and RRKM study of the elimination of HF and HCl from chlorofluoroethylene
470
Ab initio and semi-empirical computational studies on 5-hydroxy-4-methyl-5,6-di-pyridin-2-yl-4,5-dihydro-2H-[1,2,4]triazine-3-thione
471
Ab initio and semi-empirical computational studies on 5-hydroxy-5,6-di-pyridin-2-yl-4,5-dihidro-2H-[1,2,4]triazine-3-thione
472
Ab initio and Semiempirical Conformational and Configurational Analysis of N-2-(1,4-Dioxane)-Nʹ-(4-methylbenzenesulfonyl)-O-(4-methylphenoxy)isourea
473
Ab initio and semi-empirical studies of the static polarizability and the second hyperpolarizability of diamond: finite Td symmetry models from CH4 to C281H172
474
Ab initio and TDDFT investigations on charge transfer transition for the o-chloranil/aniline complex in gas phase
475
Ab initio and thermodynamic investigation on the Ca–H system
476
Ab initio and thermodynamic study of the Cr–Re system
477
Ab initio and transition state theory studies of the energetics of H atom resurfacing on Ni(1 1 1)
478
Ab initio and variational transition state approach to atmospheric photooxidation: Mechanism and kinetics for the reaction of HN3 with OH radicals
479
Ab initio anharmonic calculations of vibrational frequencies of benzene by means of efficient construction of potential energy functions
480
Ab initio anharmonic force field and ab initio and experimental equilibrium structures of formyl chlorideq
481
Ab initio anharmonic intermolecular potential of the C2H2–HCl hydrogen bonded complex
482
Ab initio approach to the effect of Fe on the diffusion in hcp Zr II: The energy barriers
483
Ab initio assisted process modeling for Si-based nanoelectronic devices
484
Ab initio atomistic dynamical study of an excess electron in water
485
Ab initio atomistic thermodynamics study on the sulfur tolerance mechanism of the oxygen-enriched yttria-stabilized zirconia surface
486
Ab initio band structure calculations of the low-temperature phases of Ag2Se, Ag2Te and Ag3AuSe2 Original Research Article
487
Ab initio based building block model of amide I vibrations in peptides
488
Ab initio based interface modeling for fully coherent precipitates of arbitrary size in Al alloys
489
Ab initio based investigation of interstitial interactions and Snoek relaxation in Nb–O Original Research Article
490
Ab initio based rate theory model of radiation induced amorphization in β-SiC
491
Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi
492
Ab initio basis set and correlation limit interaction energies for He–He, He–H2, and H–H2
493
Ab Initio Calculation 29Si NMR Chemical Shift Studies on Silicate Species in Aqueous and Gas Phase
494
Ab initio calculation and display of the rotary strength tensor in the random phase approximation. Method and model studies
495
Ab Initio Calculation and Spectroscopic Study of the 1,3-Dipolar Cycloaddition Reaction of Benzyl Azide and Acrylic Acid
496
Ab initio calculation for inner reorganization energy of gas-phase electron transfer in organic molecule–ion systems Original Research Article
497
Ab initio calculation for vacancy-induced magnetism in ferroelectric Na0.5Bi0.5TiO3
498
Ab initio calculation of 2H quadrupole coupling constants in molecular crystals: application to polymorphs of oxalic acid dihydrate
499
Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces Original Research Article
500
Ab initio calculation of Ag monolayer adhesion on BaTiO3 (100) surfaces
501
Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory
502
Ab initio calculation of Auger spectra for carbon monoxide
503
Ab initio calculation of bulk and defect properties of ductile rare-earth intermetallic compounds Original Research Article
504
Ab initio calculation of chain structures in chalcohalide glasses
505
Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations
506
Ab initio calculation of electronic structures and 4f-5d transitions of some rare earth ions doped in crystal YPO4
507
Ab initio calculation of electronic transition moments for singlet excited states of the H2 molecule
508
Ab initio calculation of excited state energies using basis set optimization and open-shell Mّller-Plesset perturbation theory
509
Ab initio calculation of fundamental properties of CaxMg1−xA (A=Se and Te) alloys in the rock-salt structure
510
Ab initio calculation of half-metallic ferromagnetism in zinc-blende (CaN)1/(AlN)x and (CaN)x/(AlN)1 (x=2, 3) (001) superlattices
511
Ab initio calculation of high pressure phases and electronic properties of CuInSe2
512
Ab initio calculation of image and image NMR shielding constants in solid acetylene
513
Ab initio calculation of image cross-luminescence spectrum
514
Ab initio calculation of intrinsic point defects in CuInSe2 Original Research Article
515
Ab initio calculation of local vibrational modes by the Greens function method. Application to GaAs:C and GaN:As
516
Ab initio calculation of NbH phases with low H compositions
517
Ab initio calculation of Ni50−xFexTi50 Original Research Article
518
Ab initio calculation of optical absorption and reflectivity of Si(0 0 1)/SiO2 superlattices with varying interfaces
519
Ab initio calculation of P,T-odd effects in YbF molecule
520
Ab initio calculation of resonance energies and widths of HOCl(7νOH and 8νOH) and comparison with experiment
521
Ab initio calculation of SiC polytypes
522
Ab initio calculation of stationary points on the HF2 potential energy surface
523
Ab initio calculation of the 4He(e, eʹd )d reaction
524
Ab initio calculation of the a 3Σ+u interaction potential and vibrational levels of 7Li2
525
Ab initio calculation of the anharmonic force and dipole fields of nitrogen trifluoride
526
Ab initio calculation of the anisotropic/ring current effects of amino acid residues to locate the position of substrates in the binding site of enzymes
527
Ab initio calculation of the BCC Fe–Al–Mo (Iron–Aluminum–Molybdenum) phase diagram: Implications for the nature of the phase
528
Ab initio calculation of the BCC Fe–Al–Mo (Iron–Aluminum–Molybdenum) phase diagram: Implications for the nature of the τ2 phase
529
Ab initio calculation of the carbon isotope signatures of amino acids
530
Ab initio calculation of the elastic properties and the lattice dynamics of the AgBr1−xClx alloy
531
Ab initio calculation of the electrical properties of the X2Πg ground state of O2+
532
Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine Original Research Article
533
Ab initio calculation of the ferroelectric phase transition in disordered and ordered PbSc0.5Ta0.5O3 and PbSc0.5Nd0.5O3 solid solutions with the use of a model Hamiltonian
534
Ab initio calculation of the formation energies of L12, D022, D023 and one dimensional long period structures in TiAl3 compound
535
Ab initio calculation of the intermolecular potential energy surface of (CO2)2 and first applications in simulations of fluid CO2 Original Research Article
536
Ab initio calculation of the nuclear quadrupole coupling constants of rovibrational levels in the X2Σ+ state of all isotopic variants of LiH− Original Research Article
537
Ab initio calculation of the optical and photoelectron spectra of KNbO3 and KTaO3
538
Ab initio calculation of the properties and pressure induced transition of Sn
539
Ab initio calculation of the rate coefficient for short-chain branching in free-radical polymerizations
540
Ab initio calculation of the structural and dynamical properties of layered semiconductors
541
Ab initio calculation of the structural, elastic, electronic, and linear optical properties of ZrPtSi and TiPtSi ternary compounds
542
Ab initio calculation of the Structural, Mechanical and Thermodynamic Properties of Beryllium Sulphide (BeS)
543
Ab initio calculation of the thermochemical properties of polysulphanes (H2Sn)
544
Ab initio calculation of the torsional potential for 2-alkenylanthracene in the ground and excited states
545
Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE = Sc, Y, La, Ce–Lu)
546
Ab initio calculation of the voltage profile for LiC6
547
Ab initio calculation of three-body interaction in the (H2)3 trimer Original Research Article
548
Ab initio calculation of transport and optical properties of aluminum: Influence of simulation parameters
549
Ab initio calculation of vibrational and thermodynamic properties of SrX (S, Se, Te) in the B1 (NaCl) and B2 (CsCl) structures
550
Ab initio calculation of vibrational frequencies of AsO glass
551
Ab initio calculation of vibrational frequencies of Ge0.25S0.75−yIy glass
552
Ab initio calculation of vibrational frequencies of GexPxS1−2x glass
553
Ab initio calculation of vibrational frequencies of GexSe1−x glass
554
Ab initio calculation on the low-lying excited states of BCl radical
555
Ab initio calculation to predict the possible nonequilibrium A3B and AB3 states in the Co–Mo system
556
Ab initio calculations and dynamical properties of the Se:InP(1 1 0) and Te:InP(1 1 0)
557
Ab initio calculations and experimental determination of the structure of Cr2AlC
558
Ab initio calculations and experimental studies of site substitution of ternary elements in WC
559
Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project
560
Ab initio calculations and iodine kinetic modeling in the reactor coolant system of a pressurized water reactor in case of severe nuclear accident
561
Ab initio calculations and modeling of diabatic potential energy surfaces for the Van der Waals complex Cl(2P)⋯CH4(X 1A1)
562
Ab initio calculations and quantum statitiscal analysis of the SiH3+NO reaction
563
Ab initio calculations and spectral simulation of the Ã2A′→X̃2A″ emission of the HPCl radical
564
Ab initio calculations and structure of three acyclic bis(acetyl acetone)imine derivatives
565
Ab initio calculations and supersonic jet studies on the geometry of 4-dimethylaminobenzonitrile (DMABN) and related compounds in the ground and excited state Original Research Article
566
Ab initio calculations and thermodynamic modeling for the Fe–Mn–Nb system
567
Ab initio calculations for (BrO)2 system and quasiclassical dynamics study of BrO self-reaction Original Research Article
568
Ab initio calculations for Ar2+, He2+ and He3+, of interest for the modelling of ionic rare-gas clusters Original Research Article
569
Ab initio calculations for electronic and optical properties of explosive silver azide
570
Ab initio calculations for equilibrium fractionations in multiple sulfur isotope systems
571
Ab initio calculations for mixed clusters of lead and alkali elements, and implications for the structure of their solid and liquid alloys
572
Ab initio calculations for properties of MAX phases Ti2InC, Zr2InC, and Hf2InC
573
Ab initio calculations for small iodo clusters. Good performance of relativistic effective core potentials
574
Ab initio calculations for the F-center transfer and R centers in SrF2
575
Ab initio calculations for the tetragonal PbZr0.5Ti0.5O3
576
Ab initio calculations for with F- and M-centers
577
Ab initio calculations for XPS chemical shifts of poly(vinyl-trifluoroacetate) using trimer models
578
Ab initio calculations of 19F NMR chemical shielding for alkali-metal fluorides
579
Ab initio calculations of 29Si solid state NMR chemical shifts of silane and silanol groups in silica
580
Ab initio calculations of atomic an electronic structure of LaMnO3 and SrMnO3
581
Ab initio calculations of autoionizing states using block diagonalization: Collinear diabatic states for dissociative recombination of electrons with
582
Ab initio calculations of band structure of solid solutions of copper and silver chalcogenides
583
Ab initio calculations of CO physisorption on ceria(1 1 1)
584
Ab initio calculations of copper coordination polymers: H2dtoaCu and (HOC2H4)2dtoaCu (dtoa = dithiooxamide)
585
Ab initio calculations of doubly resonant sum-frequency generation second-order polarizabilities of LiH
586
Ab initio calculations of elastic constants and thermodynamic properties of Li2O for high temperatures and pressures
587
Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures
588
Ab initio calculations of elastic constants and thermodynamic properties of γTiAl under high pressures
589
Ab initio calculations of elastic constants of the bcc V–Nb system at high pressures Original Research Article
590
Ab initio calculations of elastic properties and electronic structure of calcium selenide Original Research Article
591
Ab initio calculations of elastic properties of Fe–Cr–W alloys
592
Ab initio calculations of elastic properties of Pt–Sc alloys
593
Ab initio calculations of electronic g-factors by means of multiconfiguration response theory
594
Ab initio calculations of electronic spectra of H2S and H2S2 Original Research Article
595
Ab initio calculations of equilibrium geometries and vibrational excitations of helical ethylene-glycol oligomers: application to modeling of monolayer infrared spectra
596
Ab initio calculations of excited states of vinyl bromide
597
Ab initio calculations of Fe–Ni clusters
598
Ab initio calculations of F-H-Br system with linear geometry
599
Ab initio calculations of generalized-stacking-fault energy surfaces and surface energies for FCC metals
600
Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates
601
Ab initio calculations of interfacial magnetism in Fe/Mo superlattices
602
Ab initio calculations of lattice stability of sigma-phase and phase diagram in the Cr–Fe system
603
Ab initio calculations of low-lying potential energy surfaces of the HHeF system
604
Ab initio calculations of magnetic properties of Ag-doped GaN
605
Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE
606
Ab initio calculations of mechanical stability of bcc Cu under pressure
607
Ab initio calculations of MgH2, MgH2:Ti and MgH2:Co compounds
608
AB Initio Calculations of NMR Spectra for H20114C9N4 As A New Nanosemiconductor Molecule
609
Ab initio calculations of NO2 and SO2 chemisorption onto non-polar ZnO surfaces
610
Ab initio calculations of nonadditive effects in the trimers (H2O)2⋯XY, XY=N2, BF, CS
611
Ab initio calculations of NQR 35Cl frequency in organo-germanium chlorides and its dependency on Ge–O distance
612
Ab initio calculations of optical properties of B2C graphene sheet
613
Ab initio calculations of optical properties of Li and K at high pressures Original Research Article
614
Ab initio calculations of phonon dispersion relations for bulk and image surface of cubic InN Original Research Article
615
Ab initio calculations of phosphorus and arsenic clustering parameters for the improvement of process simulation models
616
Ab initio calculations of plasmons and interband transitions in the low-loss electron energy-loss spectrum
617
Ab initio calculations of polyhedra liquid water
618
Ab initio calculations of potential energy surface and rate constants for ethylene photodissociation at 193 and 157 nm
619
Ab initio calculations of S1 excited state vibrational spectra of benzene, naphthalene and anthracene Original Research Article
620
Ab initio calculations of self-interstitial interaction and migration with solute atoms in bcc Fe
621
Ab initio calculations of some electronic and elastic properties for SiC polytypes
622
Ab initio calculations of spin–orbit contribution to the zero-field splitting tensors of nπ∗ excited states by the CASSCF method with MRMP2 energy correction
623
Ab initio calculations of stretching vibrational transitions for the linear molecules HCN, HNC, HCCF and HC3N up to high overtones Original Research Article
624
Ab initio calculations of structural and electronic properties of prototype surfaces of group IV, III–V and II–VI semiconductors
625
Ab initio calculations of structural, electronic and dynamical properties of BeSe(1 1 0) surface
626
Ab initio calculations of structural, electronic, optical and thermodynamic properties of alkaline earth tellurides BaxSr1−XTe Review Article
627
Ab initio calculations of structural, optical and thermoelectric properties for CoSb3 and ACo4Sb12 (A = La, Tl and Y) compounds
628
Ab initio calculations of sulfur isotope fractionation factor for H2S in aqua–gas system
629
Ab initio calculations of the (111) polar surfaces
630
Ab initio calculations of the anionic sodium-ammonia complex
631
Ab initio calculations of the atomic and electronic structure of BaZrO3 (111) surfaces
632
Ab initio calculations of the atomic and electronic structure of layered Ba0.5Sr0.5TiO3 structures
633
Ab initio calculations of the charge density distribution in superconducting Ba1−xKxBiO3 Original Research Article
634
Ab initio calculations of the colour of closed-ring diarylethenes: TD-DFT estimates for molecular switches
635
Ab initio calculations of the elastic properties of ferropericlase Mg1−xFexO ()
636
Ab initio calculations of the elasticity of hcp-Fe as a function of temperature at inner-core pressure
637
Ab initio calculations of the elasticity of iron and iron alloys at inner core conditions: Evidence for a partially molten inner core?
638
Ab initio calculations of the electron structure of the compounds AgGaS2, CdGa2S4, InPS4 Original Research Article
639
Ab initio calculations of the electronic states of acetyl radical
640
Ab initio calculations of the electronic states of KRb Original Research Article
641
Ab initio calculations of the electronic structure of the ground states of HBeHe+ and
642
Ab initio calculations of the electronic, structural and elastic properties of Nb2InC
643
Ab initio calculations of the energies of the ring-opened and ring-closed isomers of C2H4S+.
644
Ab initio calculations of the Fe(II) and Fe(III) isotopic effects in citrates, nicotianamine, and phytosiderophore, and new Fe isotopic measurements in higher plants
645
Ab initio calculations of the ground and excited states of I2− and ICl−
646
Ab initio calculations of the H-induced surface restructuring on β-SiC(0 0 1)-(3×2)
647
Ab initio calculations of the H-induced surface restructuring on β-SiC(0 0 1)-(3×2)
648
Ab initio calculations of the hydroxyl impurities in BaF2
649
Ab initio calculations of the interaction between native point defects in silicon
650
Ab initio calculations of the interaction between thiophene and ionic liquids
651
Ab initio calculations of the LaMnO3 surface properties
652
Ab initio calculations of the oxygen–vacancy dipoles and M centers in CaF2
653
Ab initio calculations of the physical properties of transition metal carbides and nitrides and possible routes to high- T c superconductivity
654
Ab initio calculations of the potential energy surface for the reaction N(2D)+CH3F
655
Ab initio calculations of the reconstructed (100) surfaces of cubic silicon carbide
656
Ab initio calculations of the relationship between the alpha alumina toughness and its electronic structure under pressure
657
Ab initio calculations of the ring-opened and ring-closed isomers of C2H4O+: the need for high level electron correlation techniques
658
Ab initio calculations of the rovibrational states of He2N2+ Original Research Article
659
Ab initio calculations of the stability and lattice dynamics of the MgSiO3 post-perovskite Original Research Article
660
Ab initio calculations of the structural, elastic, electronic and optical properties of Cu3N as well as Cu3NLa and Cu3NCe compounds
661
Ab initio calculations of the structural, elastic, electronic and optical properties of Cu3NM compounds doped with M=Sc, Y and La
662
Ab initio calculations of the structures and energies of gas phase isomeric C3N4 molecules
663
Ab initio calculations of the uranium–hydrogen system: Thermodynamics, hydrogen saturation of α-U and phase-transformation to UH3 Original Research Article
664
Ab initio calculations of the vibrational contributions to the static dipole polarizability of CO2 and CS2
665
Ab initio calculations of thermal radiative properties: The semiconductor GaAs
666
Ab initio calculations of three-photon absorption
667
Ab Initio Calculations of Vibrational Frequenciesin a Glassy State of Selenium
668
Ab initio calculations of vibronic coupling. Applications to symmetry-forbidden vibronic spectra and internal conversion in ethylene
669
Ab initio calculations of vibronic spectra for indole
670
Ab initio calculations of zero-field splitting parameters Original Research Article
671
Ab initio calculations on (Z)-5-decenyl acetate, a component of the pheromone complex of Agrotis segetum (Lepidoptera: Noctuidae) and electrophysiological studies with chain elongated analogues Original Research Article
672
Ab initio calculations on 2-imidazolyl-2-thiazolyl azo compounds – an investigation of potential near-infrared absorbing structures
673
Ab initio calculations on elastic properties in L12 structure Al3X and X3Al-type (X=transition or main group metal) intermetallic compounds
674
Ab initio calculations on energetics and electronic structures of cubic Mg3MNi2 (M = Al, Ti, Mn) hydrogen storage alloys
675
Ab initio calculations on excited states of VCH
676
Ab initio calculations on indole–water, 1-methylindole–water and indole–(water)2
677
Ab initio calculations on phenol–water
678
Ab initio calculations on pKa values of benzo-quinuclidine series in aqueous solvent
679
Ab initio calculations on the anomalous thermal behaviour of fcc(1 1 0) surfaces
680
Ab initio calculations on the compensation mechanisms in InP
681
Ab initio calculations on the dissociative reaction of As4 molecules
682
Ab initio calculations on the early growth state of Pt on TiO2(1 1 0) rutile and the role of CO molecule
683
Ab initio calculations on the free energy and high P–T elasticity of face-centred-cubic iron
684
Ab initio calculations on the inclusion complexation of cyclobis(paraquat-p-phenylene)
685
Ab initio calculations on the local structure and the 4f–5d absorption and emission spectra of image-doped YAG
686
Ab initio calculations on the mechanism of isobutane and 2-butene alkylation reaction catalyzed by hydrofluoric acid
687
Ab initio calculations on the open end of single-walled BN nanotubes
688
Ab initio calculations on the structural and lattice dynamical properties of TmX (X=As, P) compounds Original Research Article
689
Ab initio calculations on the structure and properties of hexagonal boron nitrides
690
Ab initio calculations on the structure, vibrational frequencies, and valence excitation energies of the benzene…Ar and benzene…Ar2 cluster
691
Ab initio calculations on the third-order elastic constants for selected B2–MgRE (RE = Y, Tb, Dy, Nd) intermetallics
692
Ab initio calculations predict a very low barrier for the rotation of the axial ligand in Fe(P)(Im)
693
Ab initio calculations related to the formation of propynal and propadienone in interstellar clouds
694
Ab initio calculations study of the electronic, optical and thermodynamic properties of NaMgH3, for hydrogen storage Original Research Article
695
Ab initio Calculations SWNTs and Investigation of Interaction Atoms of Oxygen with that by Computational Calculations
696
Ab initio CASSCF and MRSDCI calculations of the (C6H6)2+ radical
697
Ab initio CASSCF and MRSDCI calculations of the (C6H6)3+ radical
698
Ab initio CCSD(T) and MRD-CI study of excited states and the electronic spectrum of linear C5+
699
Ab initio centroid molecular dynamics: a fully quantum method for condensed-phase dynamics simulations
700
Ab initio characterization of HBrO2 isomers: implications for stratospheric bromine chemistry
701
Ab initio characterization of -MnAs
702
Ab initio characterization of the flexural anion found in the reversible dehydrogenation
703
Ab initio characterization of the ion P2O+
704
Ab initio characterization of the xenon dihydride dimer – (HXeH)2
705
Ab initio characterization of Ti decorated SWCNT for hydrogen storage
706
Ab initio chemical kinetics for ClO reactions with HOx, ClOx and NOx (x = 1, 2): A review
707
Ab initio chemical kinetics for the HCCO + OH reaction
708
Ab initio chemical kinetics for the N2H4 + NOx (x = 1–3) reactions and related reverse processes
709
Ab initio chemical kinetics for the reactions of N2 with singlet and triplet C2O radicals
710
Ab initio CI calculations of electronic and vibrational spectra of diazomethane Original Research Article
711
Ab initio CI calculations on potential energy curves of low-lying states of BrF and its cation including spin–orbit coupling
712
Ab initio CI study of the electronic spectrum of bismuth iodide employing relativistic effective core potentials Original Research Article
713
Ab initio cluster calculations on point defects in amorphous SiO2
714
Ab initio cluster study of the bilayer manganite La2−2xSr1+2xMn2O7
715
Ab initio cluster study of the local lattice instability in La2−2xSr1+2xMn2O7
716
Ab initio comparative study of C54 and C49 TiSi2 surfaces
717
Ab initio comparative study of montmorillonite structural models
718
Ab initio comparative study of the structural, elastic and electronic properties of antiperovskite cubic compounds
719
Ab initio computation of molecular singlet–triplet energy differences using auxiliary field Monte Carlo
720
Ab initio computation of the potential energy surfaces of the water·hydrocarbon complexes H2O·C2H2, H2O·C2H4 and H2O·CH4: minimum energy structures, vibrational frequencies and hydrogen bond energies Original Research Articlec
721
Ab initio computational study of selected C60H6 isomers
722
Ab initio computational study of the interaction of Cl atoms with HI, CH3I and CH3OCH2I
723
Ab initio computational study of β-cellobiose conformers using B3LYP/6-311++G** Original Research Article
724
Ab initio computations of effective exchange integrals for H–H, H–He–H and Mn2O2 complex: comparison of broken-symmetry approaches
725
Ab initio configuration interaction studies on the photoelectron spectra of chlorine nitrate
726
Ab initio configuration interaction study of the electronic spectrum of SiH+
727
Ab initio configuration interaction study of the low-lying electronic states of InF
728
Ab initio conformational analysis of N-formyl L-alanine amide including electron correlation
729
Ab initio conformational maps for disaccharides in gas phase and aqueous solution Original Research Article
730
Ab initio conformational study of 2,2′:5′,2″-terthiophene
731
Ab initio conformational study of N-acetyl-l-proline-N′,N′-dimethylamide: a model for polyproline Original Research Article
732
Ab initio correlated study of the Al13H− anion: Isomers, their kinetic stability and vertical detachment energies
733
Ab initio coupled cluster calculations for nuclei using methods of quantum chemistry
734
Ab initio crystal structure determination using X-ray fluorescence holography for different noise levels: numerical simulation and analysis
735
Ab initio density functional studies of the restructuring of graphene nanoribbons to form tailored single walled carbon nanotubes Original Research Article
736
Ab initio density functional study of O on the Ag(0 0 1) surface
737
Ab initio density functional study on changes in local structure in perovskite compound, LixLa1/3NbO3
738
Ab initio density functional theory + U predictions of the shear response of iron oxides Original Research Article
739
Ab initio density functional theory applied to the structure and proton dynamics of clays
740
Ab initio density functional theory for spin-polarized systems
741
Ab initio density functional theory investigation of electronic properties of semiconducting single-walled carbon nanotube bundles
742
Ab initio density functional theory investigation of Structural and electronic properties of double-wall zinc oxide nanotubes
743
Ab initio density functional theory investigation of structural and electronic properties of double-walled silicon carbide nanotubes
744
Ab initio density functional theory studies on oxygen stabilization at the V2O3(0 0 0 1) surface
745
Ab initio design on new push–pull sila- and germastilbene
746
Ab initio determination and Rietveld refinement of the crystal structure of Ni 0.50 TiO(PO4)
747
Ab initio determination and Rietveld refinement of the crystal structure of Ni 0.50 TiO(PO4)
748
Ab initio determination of atomic structure and energy of surface states of bare and hydrogen covered GaN (0001) surface — Existence of the Surface States Stark Effect (SSSE)
749
Ab Initio Determination of Bi4.86La1.14O9 Monoclinic Structure from Powder Neutron Diffraction Data. Characterization of the Related Solid Solution
750
Ab initio determination of crystal lattice constants and thermal expansion for germanium isotopes
751
Ab initio determination of exchange integrals and Néel temperature in the chain cuprates
752
Ab initio determination of heavy oxide perovskite related structures from precession electron diffraction data
753
Ab initio determination of heavy oxide perovskite related structures from precession electron diffraction data
754
Ab initio determination of heavy oxide perovskite related structures from precession electron diffraction data
755
Ab initio determination of incommensurately modulated structures by charge flipping in superspace
756
Ab initio determination of lattice dynamics and thermodynamics of β - BC2N
757
Ab initio determination of quasi-diabatic states for multiple reaction pathways Original Research Article
758
Ab initio determination of the anharmonic vibrational spectra of P2O in the region 200–2000 cm−1
759
Ab initio determination of the C6H6⋯CS2 cluster stabilization energy Original Research Article
760
Ab initio determination of the CN–NH3 capture potential energy surface Original Research Article
761
Ab initio determination of the dielectric response of GaAs, AlAs, C, and SrO in the weighted-density approximation Original Research Article
762
Ab initio determination of the framework structure of the heavy-metal oxide CsxNb2.54W2.46O14 from 100 kV precession electron diffraction data
763
Ab initio determination of the framework structure of the heavy-metal oxide CsxNb2.54W2.46O14 from 100 kV precession electron diffraction data
764
Ab Initio Determination of the Novel Perovskite-Related Structure of La7Mo7O30from Powder Diffraction
765
Ab initio determination of the nuclear relaxation contribution to the second hyperpolarizability of carbon disulfide
766
Ab initio determination of the rate coefficient for radiative association of
767
Ab initio determinations of magnetic circular dichroism
768
Ab initio development of a high-strength corrosion-resistant austenitic steel Original Research Article
769
Ab initio DFT cluster studies of angle-resolved NEXAFS spectra for differently coordinated oxygen at the V2O5(0 1 0) surface
770
Ab initio DFT computation of SnO2 and WO3 slabs and gas–surface interactions
771
Ab initio DFT computation of SnO2 and WO3 slabs and gas–surface interactions
772
Ab initio DFT investigations on structure of copper(I) bis-diazine complexes
773
Ab initio DFT study of urea adsorption and decomposition on the ZnO surface
774
Ab initio dipole moment function of H2S
775
Ab initio direct dynamic study on the reaction Br atoms with CH3Br
776
Ab initio direct dynamics studies on the reaction Br + SiH4
777
Ab initio direct molecular dynamics study of ClONO2+H3O+
778
Ab initio direct molecular dynamics study of the fragmentation of F(H2O) complex generated by photodetachment of F−(H2O) anion complex
779
Ab initio double-ζ (D95) valence bond calculations for the ground states of NO2, O3, and ClO2
780
AB INITIO DYNAMICS OF SURFACE CHEMISTRY
781
Ab initio dynamics of the He + H2+ M HeH+ + H reaction: potential energy surface and quantum mechanical cross-sections
782
Ab initio elastic properties and tensile strength of crystalline hydroxyapatite
783
Ab initio elastic properties of talc from 0 to 12 GPa: Interpretation of seismic velocities at mantle pressures and prediction of auxetic behaviour at low pressure
784
Ab initio elasticity and thermal equation of state of MgSiO3 perovskite
785
Ab initio elasticity of FeS2 pyrite from 0 to 135 GPa
786
Ab initio electron affinities of AlH, SiH, GaH, and GeH, including characterization of bound excited states of SiH− and GeH−
787
Ab initio electronic band structure calculation of InP in the wurtzite phase
788
Ab initio electronic structure calculation of oxygen vacancies in rutile titanium dioxide
789
Ab initio electronic structure investigation of protonated mixed rare gas dimers [NeHHe]+, [ArHHe]+ and [ArHNe]+
790
Ab initio electronic structure studies of Na2OH and its anion
791
Ab initio electronic, dynamic, and thermodynamic properties of isotopic lithium hydrides (6LiH, 6LiD, 6LiT, 7LiH, 7LiD, and 7LiT) Original Research Article
792
Ab initio ELNES/XANES spectral calculation of polar and non-polar grain boundaries in β-SiC Original Research Article
793
Ab initio energetics of charge compensating point defects: A case study on MgO
794
Ab initio energetics of some fission products (Kr, I, Cs, Sr and He) in uranium dioxide
795
Ab initio energetics of transition metal ordering in decagonal Al–Co–Cu
796
Ab initio energetics of transition metal ordering in decagonal Al–Co–Cu
797
Ab initio energy partitioning at the correlated level
798
Ab initio equation-of-motion coupled-cluster molecular dynamics with ‘on-the-fly’ diabatization: the doublet-like feature in the photoabsorption spectrum of ethylene
799
Ab initio evaluations of the He solubility in liquid Li
800
Ab initio finite oligomer method for nonlinear optical properties of conjugated polymers. Effect of electron correlation on the static longitudinal hyperpolarizability of polyacetylene
801
Ab initio Folding Simulation of the Trp-cage Mini-protein Approaches NMR Resolution
802
Ab initio folding simulation of Trpcage by replica exchange with hybrid Hamiltonian Original Research Article
803
Ab initio formation energies of Fe–Cr alloys
804
Ab initio fragment orbital theory (AFOT): application to some two-photon-absorbing (TPA) molecules
805
Ab initio G2(MP2, SVP) study of the reaction of hydroxymethylene with formaldehyde
806
Ab initio gas-phase bond energies of CNHx isomers and the reactivity and stability of aminomethylidyne (CNH2) on metal surfaces: UBI-QEP analysis
807
Ab Initio GB Study of Methylation Reaction of Adenine, Cytosine, Guanine, and Thymine by Methanediazonium Ion
808
Ab initio generalized valence force field for zeolite modelling 2. Aluminosilicates Original Research Article
809
Ab initio generalized valence force field for zeolite modelling. 1. Siliceous zeolites Original Research Article
810
Ab initio generation of amorphous semiconducting structures. The case of a-Si
811
Ab initio gradient corrected density functional molecular dynamics: investigation of structural and dynamical properties of the Li8 cluster
812
Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label
813
Ab initio g-tensor calculations of the thioether substituted tyrosyl radical in galactose oxidase
814
Ab initio Hartree–Fock and density functional theory investigations on the conformational stability, molecular structure and vibrational spectra of 3-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one
815
Ab initio Hartree–Fock and density functional theory investigations on the conformational stability, molecular structure and vibrational spectra of 7-acetoxy-6-(2,3-dibromopropyl)-4,8-dimethylcoumarin molecule
816
Ab initio Hartree-Fock calculations of LaMnO3 (110) surfaces
817
Ab initio Hartree-Fock molecular dynamics with parallel processing: application to small neutral and charged Lin clusters
818
Ab initio Hartree–Fock study and charge density analysis of beryl (Al4Be6Si12O36)
819
Ab initio helium NMR chemical shifts of endohedral fullerene compounds He@Cn (n = 32−180)
820
Ab initio infra-red spectra of iron-polycyclic aromatic hydrocarbon compounds: a model case
821
Ab initio infrared spectrum of liquid water
822
Ab initio infrared spectrum of lower frequency vibrations in cyclohexene: Paper I
823
Ab initio interaction potential of methane and carbon dioxide: Calculation of second-virial coefficient
824
Ab initio interaction potential of methane and nitrogen
825
Ab initio interaction potential of the spin-polarized manganese dimer
826
Ab initio interface configuration determination for β″ in Al–Mg–Si: Beyond the constraint of a preserved precipitate stoichiometry
827
Ab initio interionic potentials for UN by multiple lattice inversion
828
Ab Initio Intermolecular Potential Energy Surface of CO2–C2H2 Complex
829
Ab initio interpretation of sum frequency generation spectra of 4-cyanopyridine adsorbed on Au(1 1 1) Original Research Article
830
Ab initio investigation into the structural, electronic and elastic properties of AlCu2TM (TM = Ti, Zr and Hf) ternary compounds
831
Ab initio investigation of Al- and Ga-doped single-walled boron nitride nanotubes as ammonia sensor
832
Ab initio investigation of Al/Mo2B interfacial adhesion
833
Ab initio investigation of FeTi–H system
834
Ab initio investigation of halogen bonding interactions involving fluorine as an electron acceptor
835
Ab initio investigation of hydrogenation of (BN)12
836
Ab initio investigation of icosahedral Si60
837
Ab initio investigation of oxygen adsorption on the stability of carbon nanotube field effect transistors (CNTFETs)
838
Ab initio investigation of potential indium and gallium free chalcopyrite compounds for photovoltaic application Original Research Article
839
Ab initio investigation of radiation defects in tungsten: Structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals
840
Ab initio investigation of Sarin micro-hydration
841
Ab initio investigation of structural and electronic properties of zinc blende AlN1−xBix alloys
842
Ab initio investigation of the adsorption of organic molecules at Si(1 1 1) and Si(1 0 0) surfaces
843
Ab initio investigation of the atomic charges in the KcsA channel selectivity filter
844
Ab initio investigation of the elastic and piezoelectric properties of lithium based Chalcogenides LiMX2 (M = Ga,In; X = S,Se)
845
Ab initio investigation of the electronic spectrum of the chloroformyl radical ClCO
846
Ab initio investigation of the electronic structure of CeRh2Sb2
847
Ab initio investigation of the Jahn–Teller distortion effect on the stabilizing lithium intercalated compounds
848
Ab initio investigation of the lowest 2A″ and 2A′ potential energy surfaces of the Kr− cationic system
849
Ab initio investigation of the O–Y (Y = CH3, H) insertion/HI elimination reactions of CH2I–I with CH3OH and H2O: comparison of methanol and water catalyzed reactions
850
Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W Original Research Article
851
Ab initio investigation of the photofragmentation of bromomethanol
852
Ab initio investigation of the possibility of formation of endohedral complexes between H2 molecules and B-, N- and Si-doped C60 fullerenes
853
Ab initio investigation of the potential energy surfaces involved in the photophysics of s-trans-1,3-butadiene Original Research Article
854
Ab initio investigation of the SCN− chemisorption of single-walled boron nitride nanotubes
855
Ab initio investigation of the structural, elastic and electronic properties of the anti-perovskite TlNCa3
856
Ab initio investigation of the sum-frequency hyperpolarizability of small chiral molecules
857
Ab Initio Investigation of the Switching Behavior of the Dithiole-Benzene Nano-Molecular Wire
858
Ab initio investigation of the temporary anion states of silane and the linear silanes: (SinH2n+2), n=2–5
859
Ab initio investigation of the topology and properties of three-dimensional clusters of water (H2O)n
860
Ab initio investigation of the vibronic structure and the spin–orbit coupling in the X2Πu state of C2D2+
861
Ab initio investigation of twin boundary motion in the magnetic shape memory Heusler alloy Ni2MnGa
862
Ab initio investigation on electron transfer in molecular electronic devices: A minimal model study
863
Ab initio investigation on nucleophilic ring opening of 1,3,2-oxathiaphospholane: nucleophilic substitution at phosphorus coupled with pseudorotation
864
Ab initio investigation on the chemical origin of the firefly bioluminescence
865
Ab initio investigation on the valence and dipole-bound states of CNa− and SiNa−
866
Ab initio investigations in magnetic oxides
867
Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes
868
Ab initio investigations of magnetic properties of thin film Heusler alloys
869
Ab initio investigations of native and protonic point defects in Mg2SiO4 polymorphs under high pressure
870
Ab initio investigations of phonons and thermodynamic properties of ScZn and YZn in the B2 structure
871
Ab Initio Investigations of Some 1, 2-Diols Rearrangement Via G3 Calculations
872
Ab initio investigations of some molecular complexes containing hydrogen cyanide: hydrogen-bonded or donor–acceptor?
873
Ab initio investigations of structural, elastic and electronic properties of ZnSiP2: Pressure effect
874
Ab initio investigations of the C2F4S isomers and of their interconversions
875
Ab initio investigations of the electronic structure and chemical bonding of Li2ZrN2
876
Ab initio investigations of the electronic structure of HeCH+ and HeCH2+
877
Ab initio investigations of the pyrrole dimer: a direct observation of the π-facial hydrogen bond
878
Ab Initio Investigations of the Rearrangements of Some Sodium β-Halo alkoxides via G3 Calculations
879
Ab Initio Investigations of the Rearrangements of some β-Haloalkoxides to Epoxides via G3 Calculations
880
Ab initio investigations on neutral clusters of ammonia: (NH3)n (n=2–6)
881
Ab initio investigations on neutral hydrogen peroxide clusters: (H2O2)n (n=2–4)
882
Ab initio investigations on the CaO2+ dication
883
Ab initio investigations on the dislocation core properties in zinc-blende semiconductors
884
Ab initio investigations on the photophysics of indole
885
Ab initio isotope simulated dynamics in the adiabatic approximation
886
Ab initio kinetic study on the low-energy paths of the HO + C2H4 reaction
887
Ab initio lattice dynamics and elastic constants of ZrC
888
Ab initio lattice dynamics and thermodynamic properties of SrO under pressure Original Research Article
889
Ab initio lattice dynamics calculations on the combined effect of temperature and silicon on the stability of different iron phases in the Earthʹs inner core
890
Ab initio lattice dynamics of Ag(1 1 0)
891
Ab initio lattice dynamics of Ag(1 1 0)
892
Ab initio lattice dynamics of metal surfaces
893
Ab initio lattice dynamics of metal surfaces
894
Ab initio lattice stabilities of some elemental complex structures
895
Ab initio lattice stabilities of some elemental complex structures
896
Ab initio lattice stability in comparison with CALPHAD lattice stability
897
Ab initio lattice stability in comparison with CALPHAD lattice stability
898
Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4 Original Research Article
899
Ab initio LC-DFT study of graphene, multilayer graphenes and graphite
900
Ab initio LDA+U prediction of the tensile properties of chromia across multiple length scales
901
Ab initio localisation of adsorption sites in guest/host systems: application to the system thionine in zeolite NaY
902
Ab initio method for predicting tertiary structures of globular proteins
903
Ab initio MO and density functional studies on the vibrational spectra of 1,4-benzoquinone, and its anion and dianion Original Research Article
904
Ab initio MO and quasi-classical direct ab initio MD studies on the nitrogen inversion of trimethylamine
905
Ab initio MO approach to the magnetic interactions in chain structure of A2MnF5
906
Ab initio MO based lattice energy for molecular crystals: packing structure of electron donor–acceptor (EDA) complex H3N–BF3
907
Ab initio MO calculations of hyperfine coupling constants of hydronium radical H3O
908
Ab initio MO investigations of molecular structures in the ground and first excited states of heterocyclic pyridinium betaine
909
Ab initio MO studies of DCNQI molecules
910
Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes Original Research Article
911
Ab initio MO studies of Si4NO+ clusters
912
Ab initio MO studies on the photodissociation of C2H2 from the S1 (1Au) state. Non-adiabatic effects and S-T interaction
913
Ab initio MO studies on the photodissociation of C2H2 from the S1(1Au) state. II. Mechanism involving triplet states
914
Ab initio MO studies on the photodissociation of the methoxy family CX3Y (X  H, F; Y  O, S) from the Ã2A1 state
915
Ab initio MO studies on the stability of intercalation compound Cu–hBN
916
Ab initio MO study of m-phenylenediamine and 2,4-diamino-1,3,5-triazine dication diradicals
917
Ab initio MO study of solvated negative alkali atom clusters: [M(H2O)n]− and [M(NH3)n]− (M  Na and Li, n = 1−3)
918
Ab initio MO study of the A, D and third 2pi states of CO+
919
Ab initio MO study of the A, D and third 2Π states of CO+
920
Ab initio MO study of the geometries and energetics of the C3H− anion
921
Ab initio MO–CI based quantum master equation approach: Exciton dynamics of weakly and strongly coupled J-type aggregates
922
Ab initio model study on a water molecule between graphite layers Original Research Article
923
Ab initio model study on acetylcholinesterase catalysis: potential energy surfaces of the proton transfer reactions
924
Ab initio modeling of Al adsorption on CaF2 surfaces
925
Ab initio modeling of clean and Y-doped grain boundaries in alumina and intergranular glassy films (IGF) in b-Si3N4
926
AB INITIO MODELING OF ELECTRON SUBSYSTEM OF MULTIATOMIC CRYSTALS: SOFTWARE PACKAGE
927
Ab initio modeling of electronic and optical properties of hafnium silicates
928
Ab initio modeling of fused silica, crystal quartz, and water Raman spectra
929
Ab initio modeling of glass corrosion: Hydroxylation and chemisorption of oxalic acid at diopside and åkermanite surfaces Original Research Article
930
Ab initio modeling of interstitial oxygen in crystalline SiGe alloys
931
Ab initio modeling of metallic Pd80Si20 glass
932
Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies
933
Ab initio modeling of the behavior of helium and xenon in actinide dioxide nuclear fuels
934
Ab initio modeling of the solvent influence on the azohydrazone tautomerism
935
Ab initio modeling of volume–temperature curves for glassforming systems
936
Ab initio modeling study of boron diffusion in silicon
937
Ab initio modelling of basal plane oxidation of graphenes and implications for modelling char combustion Original Research Article
938
Ab initio modelling of defect properties with substitutional and interstitials elements in steels and Zr alloys
939
Ab initio modelling of neutral and cationic Hg–benzene complexes
940
Ab initio modelling of silver adhesion on the corundum (0001) surface
941
Ab initio modelling of volatile fission products in uranium mononitride
942
Ab initio molecular dynamics (MD) calculations of hyperfine coupling constants of methyl radical
943
Ab initio molecular dynamics around a conical intersection: Li(2p) + H2
944
Ab initio molecular dynamics evidence of a new stable symmetric Cs structure for N(OH)3
945
Ab initio molecular dynamics investigations on the SN2 reactions of OH− with NH2F and NH2Cl
946
Ab initio molecular dynamics of hydroxyl–water coadsorption on Rh(1 1 1)
947
Ab initio molecular dynamics of ion solvation. The case of Be2+ in water
948
Ab initio molecular dynamics of pseudorotating Li5
949
Ab initio molecular dynamics of retinals
950
Ab initio molecular dynamics simulation for structural transition of Zr during rapid quenching processes
951
Ab initio molecular dynamics simulation for the insertion process of Si and Ca atoms into C74
952
Ab initio molecular dynamics simulation for the insertion process of Si and Ca atoms into C74
953
Ab initio molecular dynamics simulation of dissociation of methane on nickel(1 1 1) surface: Unravelling initial stage of graphene growth via a CVD technique
954
Ab initio molecular dynamics simulation of methanol adsorbed in chabazite
955
Ab initio molecular dynamics simulation of photodetachment reaction of cyclopentoxide
956
Ab initio molecular dynamics simulation of redox reactions in solution Original Research Article
957
Ab initio molecular dynamics simulation of the OH radical in liquid water
958
Ab initio molecular dynamics simulation on SiN + CH and SiC + NH reactions
959
Ab initio molecular dynamics simulations of aluminum ion solvation in water clusters
960
Ab initio molecular dynamics simulations of excited hydrogen halides and methyl halides
961
Ab initio molecular dynamics simulations of oxygen-deficient centers in pure and Ge-doped silica glasses: Structure and optical properties
962
Ab initio molecular dynamics simulations of the gas-phase reaction of hydroxyl radical with nitrogen dioxide radical
963
Ab initio molecular dynamics simulations of β-d-glucose and β-d-xylose degradation mechanisms in acidic aqueous solution Original Research Article
964
Ab initio molecular dynamics simulations on the hydrolysis of methyl chloride with explicit consideration of three water molecules
965
Ab initio molecular dynamics simulations with a HOMO–LUMO gap biasing potential to accelerate rare reaction events
966
Ab initio molecular dynamics studies on the ground singlet potential energy surface of the tetraoxygen molecule, O4
967
Ab initio molecular dynamics study of cis–trans photoisomerization in ethylene
968
Ab initio molecular dynamics study of elasticity of akimotoite MgSiO3 at mantle conditions
969
Ab initio molecular dynamics study of H2 adsorption on sulfur- and chlorine-covered Pd(100)
970
Ab initio molecular dynamics study of ion-surface interactions
971
Ab initio molecular dynamics study of liquid methanol
972
Ab initio molecular dynamics study of pressure-induced phase transformation in KCl
973
Ab initio molecular dynamics study of solid nitromethane
974
Ab initio molecular dynamics study of the Helmholtz layer formed on solid–liquid interfaces and its capacitance
975
Ab initio molecular dynamics study of the hydration of the formohydroxamate anion Original Research Article
976
Ab initio molecular dynamics study of the structure of undercooled Ni melt
977
Ab initio molecular dynamics study on the hydrolysis of molecular chlorine
978
Ab initio molecular dynamics study on the thermal dissociation of acetic acid
979
Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene
980
Ab initio molecular dynamics, a simple algorithm for charge extrapolation Original Research Article
981
Ab initio molecular dynamics: Plane waves vs. local basis: The role of energy cutoff on the convergence of molecular properties
982
Ab initio molecular orbital analysis of acetaldehyde dimers.: Thermodynamic properties
983
Ab initio molecular orbital and density functional studies on the ring-opening reaction of 2H-thiete
984
Ab initio molecular orbital calculation considering the quantum mechanical effect of nuclei by path integral molecular dynamics
985
Ab initio molecular orbital calculation of the second hyperpolarizability of the carbon disulfide molecule: electron correlation and frequency dispersion
986
Ab initio molecular orbital calculation on graphite: Selection of molecular system and model chemistry Original Research Article
987
Ab initio molecular orbital calculations by the resonating Hartree-Fock approach: superposition of non-orthogonal Slater determinants
988
Ab initio molecular orbital calculations of potential energy surfaces for the N(4S, 2D, 2P)+H2 reactions
989
Ab initio molecular orbital calculations of the mechanism of oxidation of boron and aluminum monohalides
990
Ab initio molecular orbital calculations of the static polarizabilities of xanthone analogues
991
Ab initio molecular orbital characterization of sources for photo-assisted radical beam epitaxy of group-III nitrides
992
Ab initio molecular orbital model of scanning tunneling microscopy. Benzene and benzene adsorbed on a Ag surface
993
Ab initio molecular orbital studies of possibility the ferromagnetic ordering in the isoelectron-substituted ferrocarbon modifications
994
Ab initio molecular orbital study of 1,3,5-triazine derivatives for phosphorescent organic light emitting devices
995
Ab initio molecular orbital study of adsorption of atomic hydrogen on graphite:: Insight into hydrogen storage in carbon nanotubes Original Research Article
996
Ab initio molecular orbital study of dinitrobenzene radical anions
997
Ab initio molecular orbital study of excited electronic states of the vinyl radical
998
Ab initio molecular orbital study of OH−(H2O)n and SH−(H2O)n in the gas phase
999
Ab initio molecular orbital study of the isomerization reaction surfaces of C3 and C3−
1000
Ab initio molecular orbital study of the mechanism of photodissociation of formamide
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