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An ab initio study of helium and neon monoionic positive trimers

✍ Scribed by Anne-Marie Sapse; Kanhai Shukla


Book ID
113258505
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
302 KB
Volume
307
Category
Article
ISSN
0166-1280

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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