Study of the interaction in clusters formed by phenol and C H3 X (X=CN,F,Cl) molecules

Journal of Chemical Physics

Volumn 128, Issue 19, 2008, Pages

  Cabaleiro Lago, Enrique M ^a   Pea Gallego, Ángeles ^b   Rodríguez Otero, Jesús ^b  

^a Facultade de Ciencias   (Spain)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; DENSITY FUNCTIONAL THEORY; DIMERS; HYDROGEN BONDS; PHENOLS;

DEFORMATION EFFECTS; FREQUENCY SHIFTS; INTERACTION ENERGY; METHYL FLUORIDES; PHENOL MOIETY;

MOLECULAR INTERACTIONS;

ACETONITRILE; ACETONITRILE DERIVATIVE; CHLORINE; CYANIDE; FLUORINATED HYDROCARBON; FLUORINE; FLUOROMETHANE; METHYL CHLORIDE; PHENOL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; ELECTRON; HYDROGEN BOND; METHODOLOGY; PHYSICAL CHEMISTRY; THERMODYNAMICS;

ACETONITRILES; CHEMISTRY, PHYSICAL; CHLORINE; COMPUTER SIMULATION; CYANIDES; ELECTRONS; FLUORINE; HYDROCARBONS, FLUORINATED; HYDROGEN BONDING; METHYL CHLORIDE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHENOL; SOFTWARE; THERMODYNAMICS;

EID: 44349142668     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2919128     Document Type: Article

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