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The electronic chemical potential and chemical hardness

✍ Scribed by Ralph G. Pearson


Book ID
113257590
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
595 KB
Volume
255
Category
Article
ISSN
0166-1280

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Chemical hardness and the electronic che
✍ Ralph G. Pearson πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 688 KB

The properties of the electronic chemical potential, Jo and the chemical hardness, 7, are summarized. Rulesof-thumb are given for predicting the changes in p and 77 when small subsystems are combined to form larger systems. In general, the hardness increases when the energy decreases. Covalent bondi

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The hybridization effect on two important quantities, chemical hardness 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 amplitudes of vibration. For

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In the present investigation, chemical hardness and electronic chemical potential for isomers of different molecules were studied by taking into account the Ε½ . Ε½ principle of maximum hardness. Different isomers of the molecules, XC O OX X s F, . Cl , C H NO, C H , and HCNC, were considered for the