Intermolecular interaction and thermodynamic properties of N-methylacetamide and hydroxyacetonitrile dimers

Journal of Physical Organic Chemistry

Volumn 17, Issue 2, 2004, Pages 113-117

  Ju, Xue Hai ^a   Xie, Lun Jia ^b   Hua, Wen Ting ^c   Xiao, He Ming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SINOPEC BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY   (China)

^c PEKING UNIVERSITY   (China)

Author keywords

Ab initio; Hydroxyacetonitrile dimer; Intermolecular interaction; N Methylacetamide dimer; Thermodynamic properties

Indexed keywords

ALDEHYDES; BINDING ENERGY; CALCULATIONS; CATALYSTS; COMPLEXATION; CONFORMATIONS; DIMERS; GIBBS FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE;

HARTREE-FOCK THEORY; HYDROCYANATION; HYDROXYACETONITRILE; INTERMOLECULAR INTERACTION; MOLLER-PLESSET CORRELATION ENERGY CORRECTION THEORY; N-METHYLACETAMIDE;

MOLECULAR DYNAMICS;

EID: 0442295645     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.697     Document Type: Article

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