An ab initio study of intermolecular interactions of nitromethane dimer and nitromethane trimer

Journal of Computational Chemistry

Volumn 24, Issue 3, 2003, Pages 345-352

  Li, Jinshan ^a   Zhao, Feng ^a   Jing, Fuqian ^a  

^a INSTITUTE OF FLUID PHYSICS   (China)

Author keywords

Density functional theory B3LYP method; Intermolecular interaction; MP2 method; Nitromethane dimer; Nitromethane trimer

Indexed keywords

BINDING ENERGY; COMPUTATIONAL METHODS; HYDROGEN BONDS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

INTERMOLECULAR INTERACTIONS;

DIMERS;

EID: 0037330575     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10179     Document Type: Article

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