Toward a Database of Chemically Accurate Barrier Heights for Reactions of Molecules with Metal Surfaces

Journal of Physical Chemistry Letters

Volumn 6, Issue 20, 2015, Pages 4106-4114

  Kroes, Geert Jan ^a  

^a LEIDEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; DATABASE SYSTEMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; METALS; MOLECULAR BEAMS; MOLECULES;

ACCURATE MODELING; DENSITY FUNCTIONALS; ELECTRONIC STRUCTURE THEORY; FIRST-PRINCIPLES THEORY; GAS-PHASE CHEMICAL REACTIONS; METAL REACTIONS; REACTION BARRIER HEIGHTS; STICKING PROBABILITY;

SURFACE REACTIONS;

EID: 84944390661     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01344     Document Type: Review

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