A density functional theory study of the CH2I2 reaction on Ag(111): Thermodynamics, kinetics, and electronic structures

Journal of Chemical Physics

Volumn 132, Issue 2, 2010, Pages

  Teng, Bo Tao ^a   Huang, Wei Xin ^b   Wu, Feng Min ^a   Lan, You Zhao ^a   Cao, Dong Bo ^c  

^a ZHEJIANG NORMAL UNIVERSITY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^c INSTITUTE OF COAL CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ADSORPTION AND REACTIONS; ADSORPTION BEHAVIOR; BOND RUPTURE; C-H BOND; CHARGE DENSITY DIFFERENCE; COUPLING REACTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; SURFACE SPECIES;

ACTIVATION ENERGY; ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; ELECTRONIC STRUCTURE; ETHYLENE; REACTION KINETICS; SILVER;

DENSITY FUNCTIONAL THEORY;

EID: 74549169943     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3292641     Document Type: Article

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