scholarly journals Enhancing performance of ionic liquid property prediction with molecular dynamics.

2018 ◽  
Author(s):  
Trisha Patel
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Property Prediction ◽  
Liquid Property

Technologies for Developing Predictive Atomistic and Coarse-Grained Force Fields for Ionic Liquid Property Prediction

2008 ◽  
Author(s):  
Marcus G. Martin ◽  
Edward J. Maginn ◽  
Robin D. Rogers ◽  
Greg Voth ◽  
Mark S. Gordon
Keyword(s):  
Ionic Liquid ◽  
Force Fields ◽  
Coarse Grained ◽  
Property Prediction ◽  
Liquid Property

Molecular Dynamics in Ionic Liquid/Radical Systems

2021 ◽  
Author(s):  
Bulat Gizatullin ◽  
Carlos Mattea ◽  
Siegfried Stapf
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid

Molecular dynamics and electrical conductivity of Guanidinium based ionic liquid crystals: Influence of cation headgroup configuration

2021 ◽  
Vol 330 ◽  
pp. 115666
Author(s):  
Mohamed A. Kolmangadi ◽  
Arda Yildirim ◽  
Kathrin Sentker ◽  
Martin Butschies ◽  
Andrea Bühlmeyer ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electrical Conductivity ◽  
Ionic Liquid ◽  
Liquid Crystals ◽  
Ionic Liquid Crystals

Study of molecular dynamics of the pharmaceutically important protic ionic liquid verapamil hydrochloride. II. Test of entropic models

2010 ◽  
Vol 132 (9) ◽  
pp. 094506 ◽  
Author(s):  
Z. Wojnarowska ◽  
K. Grzybowska ◽  
A. Grzybowski ◽  
M. Paluch ◽  
K. Kaminski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Protic Ionic Liquid ◽  
Verapamil Hydrochloride
Sign in / Sign up

Export Citation Format

Share Document