Theoretical study of the intermolecular H-bonding and intermolecular proton transfer between isocytosine tautomeric forms and R,S-lactic acid

Journal of Molecular Modeling

Volumn 13, Issue 1, 2007, Pages 19-28

  Delchev, Vassil B ^a   Mikosch, Hans ^b  

^a UNIVERSITY OF PLOVDIV   (Bulgaria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Density functional methods; H bonding; Isocytosine; Proton transfer

Indexed keywords

CARBOXYL GROUP; CYTOSINE; LACTIC ACID; PROTON;

ARTICLE; CHEMICAL STRUCTURE; COMPLEX FORMATION; ENERGY; GAS; GEOMETRY; HYDROGEN BOND; ISOMERISM; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTON TRANSPORT; THEORETICAL STUDY; THERMODYNAMICS; VIBRATION;

CARBOXYLIC ACIDS; CYTOSINE; HYDROGEN BONDING; LACTIC ACID; MODELS, CHEMICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; NORMAL DISTRIBUTION; PROTONS; SOFTWARE; STEREOISOMERISM; THERMODYNAMICS;

EID: 37849186417     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-005-0090-y     Document Type: Article

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