Theoretical aspects of binary and ternary complexes of aziridine· ·· ammonia ruled by hydrogen bond strength

Journal of Molecular Modeling

Volumn 18, Issue 6, 2012, Pages 2845-2854

  Oliveira, Boaz G ^a   Araújo, Regiane C M U ^a,b  

^a FEDERAL UNIVERSITY OF BAHIA   (Brazil)

^b FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

Author keywords

Ammonia; Aziridine; B3LYP; ChelpG; Hydrogen bond; QTAIM

Indexed keywords

AMMONIA; AZIRIDINE;

ARTICLE; CHEMICAL STRUCTURE; ELECTRONICS; HYDROGEN BOND; MOLECULAR MECHANICS; OSCILLATION; PRIORITY JOURNAL; QUANTUM THEORY; SPECTROSCOPY;

AMMONIA; AZIRIDINES; COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS;

EID: 84864670725     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1300-4     Document Type: Article

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