Solvation free energies of methane and alkali halide ion pairs: An expanded ensemble molecular dynamics simulation study

1998 ◽  
Vol 108 (1) ◽  
pp. 227-233 ◽  
Author(s):  
A. P. Lyubartsev ◽  
O. K. Fo/rrisdahl ◽  
A. Laaksonen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Alkali Halide ◽  
Ion Pairs ◽  
Dynamics Simulation ◽  
Free Energies ◽  
Solvation Free Energies ◽  
Expanded Ensemble

A molecular dynamics simulation study of KF and NaF ion pairs in hydrothermal fluids

2020 ◽  
Vol 518 ◽  
pp. 112625 ◽  
Author(s):  
Xiaoyu Zhang ◽  
Xiandong Liu ◽  
Mengjia He ◽  
Yingchun Zhang ◽  
Yicheng Sun ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Ion Pairs ◽  
Hydrothermal Fluids ◽  
Dynamics Simulation
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