Molecular dynamics study on the influence of quencher concentration on the reaction rate for ionic systems

2008 ◽  
Vol 129 (10) ◽  
pp. 104507 ◽  
Author(s):  
Marek Litniewski
Keyword(s):  
Molecular Dynamics ◽  
Reaction Rate ◽  
Ionic Systems ◽  
Quencher Concentration

Nonequilibrium Molecular Dynamics Study of Heat Conduction in Ionic Systems§

1996 ◽  
Vol 100 (5) ◽  
pp. 1879-1888 ◽  
Author(s):  
Fernando Bresme ◽  
Bjørn Hafskjold ◽  
Inge Wold
Keyword(s):  
Molecular Dynamics ◽  
Heat Conduction ◽  
Nonequilibrium Molecular Dynamics ◽  
Ionic Systems

scholarly journals The low temperature D+ + H2 → HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study

2018 ◽  
Vol 20 (41) ◽  
pp. 26752-26763 ◽  
Author(s):  
Somnath Bhowmick ◽  
Duncan Bossion ◽  
Yohann Scribano ◽  
Yury V. Suleimanov
Keyword(s):  
Molecular Dynamics ◽  
Low Temperature ◽  
Low Temperatures ◽  
Reaction Rate ◽  
Rate Coefficient ◽  
Classical Trajectory ◽  
Reaction Rate Coefficient ◽  
Ring Polymer ◽  
Ring Polymer Molecular Dynamics ◽  
Trajectory Methods

The D+ + H2 → HD + H+ reaction rate coefficient has been calculated at low temperatures (20–100 K) by ring polymer molecular dynamics and quasi-classical trajectory methods.

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