Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface

Journal of Chemical Physics

Volumn 139, Issue 18, 2013, Pages

  Liu, Tianhui ^a   Fu, Bina ^a   Zhang, Dong H ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DISSOCIATION; DYNAMICS; EXCITED STATES; GOLD COMPOUNDS; POTENTIAL ENERGY SURFACES; PROBABILITY;

DISSOCIATION PROBABILITY; DISSOCIATIVE ADSORPTION; DISSOCIATIVE CHEMISORPTION; QUANTUM DYNAMICS; QUANTUM DYNAMICS CALCULATIONS; ROTATIONAL ORIENTATION; TIME-DEPENDENT WAVE PACKET APPROACHES; VIBRATIONAL EXCITATION;

CHLORINE COMPOUNDS;

EID: 84903362637     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4829508     Document Type: Article

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