Comparison of DFT with Ab initio method on the study of intermolecular interaction of (CH3ONO2)2

Acta Physico - Chimica Sinica

Volumn 18, Issue 4, 2002, Pages 307-314

  Tan, Jin Zhi ^a   Xiao, He Ming ^a   Gong, Xue Dong ^a   Li, Jin Shan ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Ab initio; DFT(density functional theory); Intermolecular interaction; Methyl nitrate dimer; Thermodynamic properties

Indexed keywords

CHEMICAL COMPOUND; DIMER; METHYL NITRATE; MONOMER; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CORRELATION FUNCTION; ELECTRONICS; ENERGY; GEOMETRY; METHODOLOGY; MOLECULAR INTERACTION; STATISTICS; STRUCTURE ANALYSIS; TEMPERATURE; THERMODYNAMICS; VIBRATION;

EID: 0036378569     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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