Bimolecular reaction rates from ring polymer molecular dynamics

Journal of Chemical Physics

Volumn 130, Issue 17, 2009, Pages

  Collepardo Guevara, Rosana ^a   Suleimanov, Yury V ^a,b   Manolopoulos, David E ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BIMOLECULAR REACTIONS; COMPLEX CHEMICAL REACTIONS; EXACT RESULTS; FUTURE APPLICATIONS; GAS-PHASE; HIGH TEMPERATURES; KEY FEATURES; LOW TEMPERATURES; ORDERS OF MAGNITUDES; PARTITION FUNCTIONS; QUANTUM MECHANICALS; QUANTUM REACTIVE; QUANTUM-TUNNELING; RATE COEFFICIENTS; REACTION COORDINATES; RING POLYMERS; THERMODYNAMIC INTEGRATIONS; TRANSITION STATE;

GRAFTING (CHEMICAL); MOLECULAR DYNAMICS; POLYMERS; REACTION RATES; SYNTHESIS (CHEMICAL); THREE DIMENSIONAL;

DYNAMICS;

EID: 65549093667     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3127145     Document Type: Article

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