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 CC and CH 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 :
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