P. Kolandaivel et al., HYBRIDIZATION EFFECT ON CHEMICAL-POTENTIAL AND HARDNESS - A QUANTUM-CHEMICAL STUDY, Chemical physics letters, 259(1-2), 1996, pp. 138-141
The hybridization effect on two important quantities, chemical hardnes
s and 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 amplitude
s of vibration. For the above study, three different types of hybrid o
rbital molecules, CH4, C2H6, C2H4 and C2H2, have been used.