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On CNDO bond indices and relations to molecular energies

โœ Scribed by S. Ehrenson; S. Seltzer

Book ID
104792313
Publisher
Springer
Year
1971
Tongue
English
Weight
869 KB
Volume
20
Category
Article
ISSN
1432-2234

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โœ A.S.N. Murthy; P.L. Prasad; Surjit Singh ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science โš– 223 KB

CND0/2 calculations for hydrogen bond interaction of Hz0 and HF and the charge transfer interaction of chlorine with benzene have been carried out. While the dissociation energies for hydrogen bond interactions are satisfactory, they are large for charge transfer interactions. The axial model for t