Theoretical prediction of S-H bond rupture in methanethiol upon interaction with gold

Journal of Physical Chemistry A

Volumn 116, Issue 29, 2012, Pages 7686-7693

  Askerka, Mikhail ^a   Pichugina, Daria ^a,b   Kuzmenko, Nikolay ^a   Shestakov, Alexander ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ADSORPTION SITE; BOND DISSOCIATION; BOND RUPTURE; DFT STUDY; GOLD ATOMS; GOLD SURFACES; HYDROGEN TRANSFER; METHANETHIOL; ORGANIC THIOLS; REACTION PATHS; SAMS; THEORETICAL PREDICTION; THIOL ADSORPTION;

ADSORPTION; ATOMS; DISSOCIATION; ENERGY BARRIERS; GOLD; HYDROGEN; MOLECULES; SELF ASSEMBLED MONOLAYERS;

GOLD COMPOUNDS;

EID: 84864254543     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp303001x     Document Type: Article

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