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Estimate of atomization enthalpies in CNDO/2 calculations

โœ Scribed by A. V. Belik; V. A. Shlyapochnikov


Book ID
112438860
Publisher
Springer
Year
1977
Tongue
English
Weight
260 KB
Volume
26
Category
Article
ISSN
1573-9171

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The interaction energy CPI-VC of the formamidc-imidazole system resulting from the CNDO/Z method exhibits n superfluous minimum at il much smaller separation than the sum of the van dcr Wn;rls radii of the closest atoms, and n low maximum at this latter distance. Yhc relatiocship of the interaction