Covalent hydration energies for purine analogs by quantum chemical methods

Journal of Computational Chemistry

Volumn 31, Issue 4, 2010, Pages 721-725

  Wang, Selina C ^a   Beal, Peter A ^a   Tantillo, Dean J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Azanaphthalene; Density functional theory; Hydration; Purine; Solvation

Indexed keywords

AZANAPHTHALENE; COVALENT HYDRATION; QUANTUM-CHEMICAL METHODS;

FLUORINE; HYDRATION; QUANTUM CHEMISTRY; SOLVATION;

DENSITY FUNCTIONAL THEORY;

FLUORINE; NAPHTHALENE DERIVATIVE; PURINE DERIVATIVE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY;

COMPUTER SIMULATION; FLUORINE; MODELS, CHEMICAL; NAPHTHALENES; PURINES; QUANTUM THEORY; WATER;

EID: 76249091249     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21364     Document Type: Article

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