DFT: A dynamic study of the interaction of ethanol and methanol with platinum

Journal of Molecular Modeling

Volumn 15, Issue 5, 2009, Pages 447-451

  Zaragoza, Irineo Pedro ^a   Salcedo, Roberto ^a   Vergara, Jaime ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Density functional theory; Ethanol; Methanol; Molecular dynamics; Platinum

Indexed keywords

ALCOHOL; CARBON; HYDROGEN; HYDROXYL GROUP; METHANOL; METHYL GROUP; OXYGEN; PLATINUM;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; REACTION ANALYSIS;

COMPUTER SIMULATION; ETHANOL; METHANOL; MODELS, CHEMICAL; PLATINUM; QUANTUM THEORY; THERMODYNAMICS;

EID: 63249087379     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0429-2     Document Type: Article

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