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Angewandte Chemie - International Edition

Volumn 40, Issue 23, 2001, Pages 4437-4440

From CO2 to methanol by hybrid QM/MM embedding

(7) French, Samuel A a Sokol, Alexey A a Bromley, Stefan T a Catlow, C Richard A a Rogers, Stephen C a King, Frank b Sherwood, Paul c

a DAVY FARADAY RESEARCH LABORATORY (United Kingdom)

b JOHNSON MATTHEY CATALYSTS (United Kingdom)

c DARESBURY LABORATORY (United Kingdom)

Author keywords

Chemisorption; Density functional calculations; Heterogeneous catalysis; Surface chemistry; Zinc oxide

Indexed keywords

CARBON DIOXIDE; CATALYSIS; ELECTRON TRAPS; ZINC OXIDE;

SOLID-STATE EMBEDDING METHOD;

METHANOL;

CARBON DIOXIDE; METHANOL;

ARTICLE; CATALYST; CHEMICAL REACTION; CHEMICAL STRUCTURE; ELECTRON SPIN RESONANCE; HYBRIDIZATION; METHODOLOGY; MOLECULAR MODEL; POLARIZATION; TEMPERATURE DEPENDENCE;

EID: 0035803637 PISSN: 14337851 EISSN: None Source Type: Journal
DOI: 10.1002/1521-3773(20011203)40:23<4437::AID-ANIE4437>3.0.CO;2-L Document Type: Article

Times cited : (102)

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