DFT study of hydrogen-bonded dimers and tetramer of glyoxilic acid oxime

Chemical Physics

Volumn 286, Issue 2-3, 2003, Pages 205-217

  Georgieva, Ivelina ^a   Binev, Daniel ^a   Trendafilova, Natasha ^a   Bauer, Günther ^b  

^a INSTITUTE OF PHYSIOLOGY   (Bulgaria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Cooperativity; Cyclic H bonded complexes; DFT study; Glyoxilic acid oxime; Hydrogen bonding energy

Indexed keywords

DIMER; GLYOXILIC ACID OXIME; MONOMER; OXIME DERIVATIVE; TETRAMER; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; ENTHALPY; GEOMETRY; HYDROGEN BOND; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; PREDICTION; THEORY; VIBRATION;

EID: 0037438437     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(02)00938-2     Document Type: Article

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