Tight-binding quantum chemical molecular dynamics study on first proton transfer process of ORR catalyzed by cobalt-porphyrin complex

Electrochemical and Solid-State Letters

Volumn 9, Issue 11, 2006, Pages

  Kasahara, Kota ^a   Tsuboi, Hideyuki ^a   Koyama, Michihisa ^a   Endou, Akira ^a   Kubo, Momoji ^a,b   Del Carpio, Carlos A ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CONFORMATIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; PORPHYRINS; QUANTUM THEORY; REACTION KINETICS;

CONFORMATIONAL CHANGES; FIRST-PRINCIPLES PARAMETERIZATION; QUANTUM CHEMICAL MOLECULAR DYNAMICS; REACTION DYNAMICS;

PROTONS;

EID: 33748678904     PISSN: 10990062     EISSN: None     Source Type: Journal    
DOI: 10.1149/1.2336985     Document Type: Article

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