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Correlation energy in bonds. Development of a semiempirical scheme. The CNDO-CMP method

✍ Scribed by I. I. Zakharov; G. M. Zhidomirov


Publisher
SP MAIK Nauka/Interperiodica
Year
1987
Tongue
English
Weight
475 KB
Volume
27
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES


Failure of the CNDO/2 method for predict
✍ A. Veillard πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 307 KB

Results from the literature show that the CND0/2 method fails to represent adequately the conformational properties of the molecules &A-BH,, and their substituted derivatives, when both atoms A and B bezr one or two lone pairs. This % in contradicticn with the cIaim that the CNDO/2 method isg~rrcral