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Atomic dynamics in different regions of the potential energy surface

โœ Scribed by J.-B. Suck


Book ID
116670459
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
230 KB
Volume
353
Category
Article
ISSN
0022-3093

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An aspect of molecular dynamics on the C
โœ Koichi Yamashita; Akitomo Tachibana; Tokio Yamabe; Kenichi Fukui ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 324 KB

A new method for the gradient of the CI adiabatic potential using an exact analytical formula has been developed-Some dynamxal aspects of formaldehyde are investigated as a prehninary exampie of the application of this me&ad.