Linear energy relations and the computational design of selective hydrogenatioin/dehydrogenation catalysts

Angewandte Chemie - International Edition

Volumn 48, Issue 52, 2009, Pages 9782-9784

  Bligaard, Thomas ^a,b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Computational chemistry; Dehydrogenation; Heterogeneous catalysis; Hydrogenation

Indexed keywords

CATALYSIS; CATALYSTS; DEHYDROGENATION; ELECTRONIC STRUCTURE; HYDROGENATION; SURFACE REACTIONS; TRANSITION METALS;

CATALYTIC MATERIALS; COMPLEX REACTIONS; COMPUTATIONAL DESIGN; ELECTRONIC STRUCTURE CALCULATIONS; LINEAR RELATION; ORGANIC MOLECULES; SELECTIVE HYDROGENATION; SOLID SURFACE;

COMPUTATIONAL CHEMISTRY;

EID: 72449161173     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200905141     Document Type: Article

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