Various local minimum structures of an aniline complex with carbon monoxide; DFT and MP2 calculations

Journal of Molecular Structure: THEOCHEM

Volumn 489, Issue 1, 1999, Pages 47-54

  Ikeshoji, T ^a,b   Nakanaga, T ^a,c  

^a NATL INST FOR ADV INTERDISC RES   (Japan)

^b TOHOKU NATL INDUST RES INSTITUTE   (Japan)

^c NATL INST OF MAT AND CHEM RES   (Japan)

Author keywords

Aniline CO complex; Density functional theory (DFT); Local minimum structures; Moeller Plesset perturbation theory (MP2); Vibrational frequency calculations; Weak interactions

Indexed keywords

ANILINE; CARBON MONOXIDE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY; ENERGY TRANSFER; HYDROGEN BOND; LASER; MOLECULAR INTERACTION; QUANTUM MECHANICS; VIBRATION;

EID: 0033536596     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00042-1     Document Type: Article

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