Title of article
A Density Functional Theoretic Studies (DFT) On Tetrakis (trifluoromethy1)-1, 4-diphosphabenzene System
Author/Authors
Ghammamy، Shahriar نويسنده , , Tahavory، Elnaz نويسنده Department of Chemistry, Faculty of Science, Imam Khomeini International,University, Qazvin, Iran. Tahavory, Elnaz
Issue Information
فصلنامه با شماره پیاپی سال 2013
Pages
7
From page
155
To page
161
Abstract
The optimized geometries and frequencies of the stationary point and the minimum-energy paths have been calculated on the Tetrakis (trifluoromethy1) - 1, 4-diphosphabenzene by using the DFT (B3LYP) methods with LANL2DZ basis sets. B3LYP/ LANL2DZ calculation results indicated both some selected bond length and bond angles values for the Tetrakis (trifluoromethy1) - 1, 4-diphosphabenzene. The group point of compound is C1.
Journal title
Canadian Journal of Basic and Applied Sciences
Serial Year
2013
Journal title
Canadian Journal of Basic and Applied Sciences
Record number
969433
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