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CNDO/2 calculation of prototropic rearrangement in cyclopentadiene

โœ Scribed by G. A. Shchembelov; Yu. A. Ustynyuk


Publisher
Springer
Year
1972
Tongue
English
Weight
148 KB
Volume
24
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES


CNDO/2 calculations of the interactions
โœ S.F. Abdulnur; R.L. Flurry Jr. ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 195 KB

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