Computational study of the interaction of indole-like molecules with water and hydrogen sulfide

Journal of Chemical Physics

Volumn 135, Issue 13, 2011, Pages

  Cabaleiro Lago, Enrique M ^a   Rodríguez Otero, Jesús ^a   Peña Gallego, Águez ^a  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; COMPUTATIONAL STUDIES; ELECTROSTATIC CONTRIBUTIONS; HETEROATOMS; INTERACTION ENERGIES; NH GROUPS; STABILITY SEQUENCES; WATER COMPLEXES;

CALCULATIONS; ELECTROSTATICS; HYDROGEN; HYDROGEN SULFIDE; PHOSPHORUS; SULFUR DETERMINATION;

COMPLEXATION;

HYDROGEN SULFIDE; INDOLE DERIVATIVE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; STATIC ELECTRICITY;

COMPUTER SIMULATION; HYDROGEN BONDING; HYDROGEN SULFIDE; INDOLES; MODELS, CHEMICAL; MODELS, MOLECULAR; STATIC ELECTRICITY; WATER;

EID: 80054695491     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3643840     Document Type: Article

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