Development of the reaction time accelerating molecular dynamics method for simulation of chemical reaction

Applied Surface Science

Volumn 254, Issue 23, 2008, Pages 7955-7958

  Takaba, Hiromitsu ^a   Hayashi, Shigekazu ^a,b   Zhong, Huifeng ^a   Malani, Hema ^a   Suzuki, Ai ^a   Sahnoun, Riadh ^a   Koyama, Michihisa ^a   Tsuboi, Hideyuki ^a   Hatakeyama, Nozomu ^a   Endou, Akira ^a   Kubo, Momoji ^a   Del Carrpio, Carlos A ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b Hayashi Office   (Japan)

Author keywords

Chemical reaction; Molecular simulation; Reaction kinetics

Indexed keywords

CHEMICAL BONDS; CHEMICAL REACTIONS; MOLECULAR DYNAMICS; REACTION KINETICS;

CHEMICAL REACTION SYSTEMS; ELEMENTARY REACTION; INTERATOMIC POTENTIAL; INTERMOLECULAR POTENTIALS; MOLECULAR DYNAMICS METHODS; MOLECULAR SIMULATIONS; SIMULATION OF CHEMICAL REACTIONS; TRANSITION STATE THEORIES;

REACTION RATES;

EID: 51249099167     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2008.04.009     Document Type: Article

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