Molecular dynamics simulations of aqueous solutions of ethanolamines

Journal of Physical Chemistry B

Volumn 110, Issue 30, 2006, Pages 14652-14658

  López Rendón, Roberto ^a   Mora, Marco A ^a   Alejandre, José ^a   Tuckerman, Mark E ^b  

^a DEPARTAMENTO DE QUÍMICA   (Mexico)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; AMINES; COMPUTER SIMULATION; CONFORMATIONS; ETHANOL; GEOMETRY; HYDROGEN BONDS;

GEOMETRIC INTEGRATION ALGORITHM; INTRAMOLECULAR HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATIONS; PHASE SPACE VOLUME;

MOLECULAR DYNAMICS;

ETHANOLAMINE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENTROPY; HYDROGEN BOND; SOLUTION AND SOLUBILITY;

COMPUTER SIMULATION; ENTROPY; ETHANOLAMINES; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; SOLUTIONS;

EID: 33748257485     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0619540     Document Type: Article

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