Design of new catalysts for ecological high-quality transportation fuels by combinatorial computational chemistry and tight-binding quantum chemical molecular dynamics approaches

Catalysis Today

Volumn 89, Issue 4, 2004, Pages 479-493

  Kubo, Momoji ^a   Kubota, Tsuguo ^a   Jung, Changho ^a   Ando, Minako ^a   Sakahara, Satoshi ^a   Yajima, Kenji ^a   Seki, Kotaro ^a   Belosludov, Rodion ^a   Endou, Akira ^a   Takami, Seiichi ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Combinatorial computational chemistry; Ecological high quality transportation fuels; High throughput screening; Tight binding quantum chemical molecular dynamics

Indexed keywords

ADDITIVES; CATALYST ACTIVITY; CLARIFICATION; COMBINATORIAL MATHEMATICS; ECOLOGY; FOSSIL FUELS; FUELS; METHANOL; MOLECULAR DYNAMICS; QUANTUM THEORY; REACTION KINETICS;

COMBINATORIAL COMPUTATIONAL CHEMISTRY; ECOLOGICAL HIGH-QUALITY TRANSPORTATION FUELS; HIGH-THROUGHPUT SCREENING (HTS); TIGHT-BINDING QUANTUM;

CATALYSTS;

EID: 2642565327     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2004.03.055     Document Type: Article

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