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An ab initio study of the interaction in dimethylamine dimer and trimer

✍ Scribed by Cabaleiro-Lago, Enrique M.; Rı́os, Miguel A.


Book ID
121388199
Publisher
American Institute of Physics
Year
2000
Tongue
English
Weight
265 KB
Volume
113
Category
Article
ISSN
0021-9606

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## Abstract Different geometries of nitromethane dimer and nitromethane trimer have been fully optimized employing the density functional theory B3LYP method and the 6‐31++G\*\* basis set. Three‐body interaction energy has been obtained with the __ab initio__ supermolecular approach at the levels o