The influence of the quencher concentration on the rate of simple bimolecular reaction: Molecular dynamics study

2005 ◽  
Vol 123 (12) ◽  
pp. 124506 ◽  
Author(s):  
Marek Litniewski
Keyword(s):  
Molecular Dynamics ◽  
Bimolecular Reaction ◽  
Quencher Concentration

Bimolecular reaction rates from ring polymer molecular dynamics

2009 ◽  
Vol 130 (17) ◽  
pp. 174713 ◽  
Author(s):  
Rosana Collepardo-Guevara ◽  
Yury V. Suleimanov ◽  
David E. Manolopoulos
Keyword(s):  
Molecular Dynamics ◽  
Reaction Rates ◽  
Bimolecular Reaction ◽  
Ring Polymer ◽  
Ring Polymer Molecular Dynamics

Bimolecular reaction rates from ring polymer molecular dynamics: Application to H + CH4→ H2 + CH3

2011 ◽  
Vol 134 (4) ◽  
pp. 044131 ◽  
Author(s):  
Yury V. Suleimanov ◽  
Rosana Collepardo-Guevara ◽  
David E. Manolopoulos
Keyword(s):  
Molecular Dynamics ◽  
Reaction Rates ◽  
Bimolecular Reaction ◽  
Ring Polymer ◽  
Ring Polymer Molecular Dynamics
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