Exchange of hydrogen between a platinum surface and a tertiary amine: An ab initio molecular dynamics investigation

Journal of Physical Chemistry C

Volumn 115, Issue 5, 2011, Pages 1969-1977

  Vargas, Angelo ^a,b   Santarossa, Gianluca ^a   Baiker, Alfons ^a  

^a ETH ZURICH   (Switzerland)

^b BASF Construction Chemicals Europe Ltd   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ADSORPTION MODES; BASE EFFECT; CHIRAL MODIFIERS; ENANTIOSELECTIVE HYDROGENATION; H-BONDS; HOMOGENEOUS CHEMISTRY; HYDROGEN ACTIVATION; METAL PARTICLE; METAL SURFACES; METHYL GROUP; OSCILLATORY MODE; PLATINUM NANOPARTICLES; PLATINUM SURFACE; PT(111); QUINOLINE MOIETY; QUINUCLIDINES; SURFACE HYDROGEN; TERTIARY AMINE; TRIMETHYLAMINE;

ADSORPTION; AMINATION; CATALYSIS; FUNCTIONAL GROUPS; HYDROGEN; HYDROGENATION; KETONES; METALS; MOLECULAR DYNAMICS; PLATINUM; SURFACE CHEMISTRY;

HYDROGEN BONDS;

EID: 79952673314     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1081577     Document Type: Article

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