Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy

Chemical Physics Letters

Volumn 399, Issue 4-6, 2004, Pages 534-538

  Coutinho, Kaline ^a   Cabral, B J Costa ^b,c   Canuto, Sylvio ^d  

^a UNIVERSIDADE DE MOGI DAS CRUZES   (Brazil)

^b UNIVERSITY OF LISBON   (Portugal)

^c UNIVERSITY OF LISBON   (Portugal)

^d UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENTS; HYDROGEN-BONDED SOLVATION SHELL; PHENOXY RADICALS;

ACETONITRILE; BINDING ENERGY; COMPUTER SIMULATION; HYDROGEN BONDS; MONTE CARLO METHODS; WATER;

PHENOLS;

ACETONITRILE; BENZYL THIOCYANATE; CHLORPHENOXAMINE; PHENOL; RADICAL; SOLVENT; WATER;

ARTICLE; BINDING COMPETITION; DENSITY GRADIENT CENTRIFUGATION; DERIVATIZATION; DIPOLE; ENERGY YIELD; HYDROGEN BOND; LIQUID; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; QUANTUM CHEMISTRY; REACTION ANALYSIS; SOLUTE; SOLVATION;

EID: 10944256416     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.10.063     Document Type: Article

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