Density functional theory study of self-association of N-methylformamide and its effect on intramolecular and intermolecular geometrical parameters and the cis/trans population

Journal of Chemical Physics

Volumn 124, Issue 23, 2006, Pages

  Garcia Martinez A ^a   Teso Vilar, E ^b   Garcia Fraile A ^b   Martinez Ruiz P ^a  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; NITROGEN COMPOUNDS; OLIGOMERS; POLYMERIZATION; SELF ASSEMBLY; SPECTROSCOPIC ANALYSIS; X RAY DIFFRACTION;

AMIDIC HYDROGEN-BONDED CHAINS; HOMOOLIGOMERS; INTERMOLECULAR GEOMETRICAL PARAMETERS; INTRAMOLECULAR GEOMETRICAL PARAMETERS; N-METHYLFORMAMIDE (NMF);

PROBABILITY DENSITY FUNCTION;

EID: 33745290650     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2204910     Document Type: Article

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