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Volumn 252, Issue 7, 2006, Pages 2598-2602

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Author keywords

CeO 2; Combinatorial computational chemistry; Pt; Three way catalyst; Tight binding quantum chemical molecular dynamics

Indexed keywords

APPROXIMATION THEORY; AUTOMOTIVE ENGINEERING; CATALYSTS; COMPUTATION THEORY; COMPUTER SIMULATION; QUANTUM THEORY;

CEO 2; COMBINATORIAL COMPUTATIONAL CHEMISTRY; PT; THREE-WAY CATALYST; TIGHT-BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS;

EID: 31144464163 PISSN: 01694332 EISSN: None Source Type: Journal
DOI: 10.1016/j.apsusc.2005.05.089 Document Type: Conference Paper

Times cited : (10)

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