A molecular dynamics simulation of SNase and its hydration shell at high temperature and high pressure

2006 ◽  
Vol 1764 (3) ◽  
pp. 522-534 ◽  
Author(s):  
Nikolai Smolin ◽  
Roland Winter
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Hydration Shell ◽  
Dynamics Simulation

scholarly journals Molecular dynamics simulation for thermophysical parameters of sodium chloride solids at high temperature and high pressure

2005 ◽  
Vol 54 (6) ◽  
pp. 2826
Author(s):  
Cui Shou-Xin ◽  
Cai Ling-Cang ◽  
Hu Hai-Quan ◽  
Guo Yong-Xin ◽  
Xiang Shi-Kai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
High Temperature ◽  
Sodium Chloride ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Thermophysical Parameters

scholarly journals Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5507-5515
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Xue-Hai Ju
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics ◽  
Ring Compounds ◽  
Fused Ring ◽  
Dynamics Simulations

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.

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