Neutral hypoxanthine in aqueous solution: Quantum chemical and Monte-Carlo studies

Journal of Molecular Structure: THEOCHEM

Volumn 711, Issue 1-3, 2004, Pages 83-94

  San Román Zimbrón, María Luisa ^a   Costas, María Eugenia ^b   Acevedo Chávez, Rodolfo ^b  

^a CENTRO DE INVESTIGACIONES QUÍMICAS   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Hypoxanthine aqueous solution; Quantum mechanical and simulation studies; Solvation structure

Indexed keywords

HYPOXANTHINE; WATER;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; DENSITY; DENSITY FUNCTIONAL THEORY; MONTE CARLO METHOD; POLARIZATION; QUANTUM CHEMISTRY; SOLVATION; THERMODYNAMICS; ENERGY TRANSFER; HYDROGEN BOND; MOLECULAR DYNAMICS; REPOLARIZATION; THEORETICAL STUDY;

EID: 13844298105     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.07.044     Document Type: Article

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