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Dipolar interactions in acetonitrile

✍ Scribed by Robert L. Gaither; Worth E. Vaughan

Publisher
Elsevier Science
Year
1980
Weight
636 KB
Volume
18
Category
Article
ISSN
0378-4487

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πŸ“œ SIMILAR VOLUMES

CNDO/2 Study of Polar Interactions in Ac
CNDO/2 Study of Polar Interactions in Acetonitrile
✍ L. Paoloni; S. Hauser πŸ“‚ Article πŸ“… 2010 πŸ› Wiley (John Wiley & Sons) βš– 328 KB

## Abstract The interaction of two acetonitrile molecules has been studied by the CNDO/2 approximation of the MO method. The antiparallel dipoles model obtains a 4.5 kcal/mole energy gain at a contact distance of 2.35 A. The skewed‐T interaction configuration gives an energy gain about ten times la