Enigmatic HCl + Au(111) reaction: A puzzle for theory and experiment

Journal of Physical Chemistry C

Volumn 120, Issue 45, 2016, Pages 25760-25779

  Füchsel, Gernot ^a   Del Cueto, Marcos ^b   Díaz, Cristina ^b,c   Kroes, Geert Jan ^a  

^a LEIDEN UNIVERSITY   (Netherlands)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^c Ciudad Universitaria de Cantoblanco   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; CHARGE TRANSFER; CHLORINE COMPOUNDS; DEGREES OF FREEDOM (MECHANICS); DENSITY FUNCTIONAL THEORY; FRICTION; GOLD COMPOUNDS; MOLECULAR BEAMS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROBABILITY; QUANTUM CHEMISTRY; SURFACE CHEMISTRY;

AB INITIO MOLECULAR DYNAMICS SIMULATION; DENSITY FUNCTIONAL THEORY METHODS; ELECTRON-HOLE PAIR EXCITATION; MOLECULAR DYNAMICS SIMULATIONS; NON-ADIABATIC EFFECT; QUASICLASSICAL MOLECULAR DYNAMICS; STICKING PROBABILITY; SURFACE TEMPERATURES;

REACTION KINETICS;

EID: 85011369289     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b07453     Document Type: Article

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