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The intermolecular dimer potential of non-dipolar linear molecules

โœ Scribed by Ahmed A. Hasanein; Mauro Ferrario; Myron Evans


Book ID
103896647
Publisher
Elsevier Science
Year
1981
Weight
583 KB
Volume
20
Category
Article
ISSN
0378-4487

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๐Ÿ“œ SIMILAR VOLUMES


Intermolecular potential of the acetonit
โœ Cianfranco La Manna ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 330 KB

SCF MO LCAO ab tnttio computations were carried out for 165 contigurattons of the acetomtrde dimer and the cd-c&ted interaction cnergtcs were fitted by an analyttcal potcnttal consisting of a 6-12 Lcnnard-Jones term plus a coulombic term. The configurations correspondtng to the energy mtntma fit quo