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Intermolecular Potentials

โœ Scribed by Stone, A. J.

Book ID
115463503
Publisher
American Association for the Advancement of Science
Year
2008
Tongue
English
Weight
84 KB
Volume
321
Category
Article
ISSN
0036-8075

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๐Ÿ“œ SIMILAR VOLUMES

On calculations of intermolecular potent
On calculations of intermolecular potentials
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Ab znitio MO calculations of intermolecular potentials using conventional Gaussian basis set have a tendency to over emphasize binding due to underestimation of exchange repulsion. A modified semiempirical method has been suggested and results are found to be reliable at medium-and long-range separa

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The sclvcnt cage concept of photochemistry is translated into spectroscopic language by an extension of the Bom-Oppenheimer approximation. The intermolecular perturbation term is taken as the barrier to viscous flow, added to the intramolecular potential. It is shown that novel phenomenological con