Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine

2013 ◽  
Vol 47 (2) ◽  
pp. 025205 ◽  
Author(s):  
M Yusupov ◽  
E C Neyts ◽  
P Simon ◽  
G Berdiyorov ◽  
R Snoeckx ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Liquid Water ◽  
Water Layer ◽  
Oxygen Species ◽  
Plasma Medicine ◽  
Reactive Molecular Dynamics ◽  
Dynamics Simulations

Reactive Molecular Dynamics Simulations for a Better Insight in Plasma Medicine

2014 ◽  
Vol 11 (12) ◽  
pp. 1156-1168 ◽  
Author(s):  
Annemie Bogaerts ◽  
Maksudbek Yusupov ◽  
Jonas Van der Paal ◽  
Christof C. W. Verlackt ◽  
Erik C. Neyts
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Plasma Medicine ◽  
Reactive Molecular Dynamics ◽  
Dynamics Simulations

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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