Hydrogen bonding in ε-caprolactam dimer: A quantum-chemical study

Russian Chemical Bulletin

Volumn 53, Issue 9, 2004, Pages 1894-1902

  Garbuzova, I A ^a   Lokshin, B V ^a  

^a A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

Author keywords

caprolactam; Density functional theory; Hydrogen bond; Hydrogen bonding enthalpy; IR spectra; Molecular structure; Quantum chemical calculations

Indexed keywords

AMIDE; CAPROLACTAM; CARBON; DIMER; MONOMER; NITROGEN; OXYGEN;

ARTICLE; DENSITY FUNCTIONAL THEORY; ENTHALPY; GAS; GEOMETRY; HYDROGEN BOND; INFRARED SPECTROSCOPY; MATHEMATICAL COMPUTING; QUANTUM CHEMISTRY; VIBRATION;

EID: 21344445709     PISSN: 10665285     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11172-005-0047-4     Document Type: Article

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