Roaming dynamics in the MgH + H→Mg + H2 reaction: Quantum dynamics calculations

Chemical Physics Letters

Volumn 504, Issue 4-6, 2011, Pages 130-135

  Takayanagi, Toshiyuki ^a   Tanaka, Tomokazu ^a  

^a SAITAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; HYDROGEN ABSTRACTION REACTION; MICROSCOPIC MECHANISMS; POTENTIAL WELLS; QUANTUM DYNAMICS CALCULATIONS; QUANTUM REACTIVE; REACTION MECHANISM; SADDLE POINT REGION;

CALCULATIONS; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION KINETICS; SURFACE PHENOMENA;

DYNAMICS;

EID: 79952360745     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.02.002     Document Type: Article

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