Title of article
Hybridization effect on chemical potential and hardness — a quantum chemical study
Author/Authors
Kolandaivel، نويسنده , , P. and Arulmozhiraja، نويسنده , , S. and Bhuvaneswari، نويسنده , , R.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
4
From page
138
To page
141
Abstract
The hybridization effect on two important quantities, chemical hardness abd chemical potential, has been studied by HF-SCF theory using a 6-31G basis set. The maximum hardness principle has been tested for CC and CH symmetric stretching with positive and negative mean amplitudes of vibration. For the above study, three different types of hybrid orbital molecules, CH4, C2H6, C2H4, and C2H2, have been used.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1777965
Link To Document