Title of article
A comparison of l- and d-Asp and Asn α-radicals a case study for atropisomerism
Author/Authors
Veronika A. Gerlei، نويسنده , , Klلra Z. and Yarligan Uysal، نويسنده , , Selma، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2014
Pages
9
From page
17
To page
25
Abstract
Asp radical has enantiomeric d and l form, due to axis chirality. This pair of degenerate minima is occurring on a single 4D-Ramachandran Potential Energy Hyper Surface (PEHS). The βD and βL radicals are interconverted on a pair of enantiotopic paths of the 4D-PEHS each of which has a lower and a higher transition state. These barriers are always higher for the Asp in comparison to those of the Asn radical.
Keywords
Ab initio quantum chemistry , Kinetic and thermodynamic stability of Asp radical , Asp radical Ramachandran surface , Axis chirality
Journal title
Computational and Theoretical Chemistry
Serial Year
2014
Journal title
Computational and Theoretical Chemistry
Record number
2286906
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