How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study

2017 ◽  
Vol 23 (35) ◽  
pp. 8424-8433 ◽  
Author(s):  
Alessandra Serva ◽  
Valentina Migliorati ◽  
Riccardo Spezia ◽  
Paola D'Angelo
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Protic Ionic Liquid ◽  
Exafs Study

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

Molecular-level insights into the structures, dynamics, and hydrogen bonds of ethylammonium nitrate protic ionic liquid at the liquid–vacuum interface

2020 ◽  
Vol 22 (24) ◽  
pp. 13780-13789
Author(s):  
Qin Huang ◽  
Yiping Huang ◽  
Yi Luo ◽  
Li Li ◽  
Guobing Zhou ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Hydrogen Bonds ◽  
Molecular Dynamics Simulations ◽  
Molecular Level ◽  
Mutual Relationship ◽  
Protic Ionic Liquid ◽  
Vacuum Interface ◽  
Ethylammonium Nitrate ◽  
Dynamics Simulations

Molecular dynamics simulations have been used to systematically explore the structures, dynamics, and hydrogen bonds of ethylammonium nitrate (EAN) protic ionic liquid and their mutual relationship at the liquid–vacuum interface.

scholarly journals Molecular dynamics involving proton exchange of a protic ionic liquid–water mixture studied by NMR spectroscopy

2019 ◽  
Vol 21 (39) ◽  
pp. 22014-22021 ◽  
Author(s):  
Mohammad Hasani ◽  
Lars Nordstierna ◽  
Anna Martinelli
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Nmr Spectroscopy ◽  
Liquid Water ◽  
Translational Diffusion ◽  
Proton Exchange ◽  
Water Mixture ◽  
Protic Ionic Liquid ◽  
Proton Conducting ◽  
Proton Dynamics

Detailed characterisation of proton dynamics in proton conducting electrolytes is crucial in the design of improved ones. We focus on proton exchange and its effect on the proton's translational diffusion in search for desirable anomalies.

Study of molecular dynamics of pharmaceutically important protic ionic liquid-verapamil hydrochloride. I. Test of thermodynamic scaling

2009 ◽  
Vol 131 (10) ◽  
pp. 104505 ◽  
Author(s):  
Z. Wojnarowska ◽  
M. Paluch ◽  
A. Grzybowski ◽  
K. Adrjanowicz ◽  
K. Grzybowska ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Protic Ionic Liquid ◽  
Verapamil Hydrochloride

Molecular dynamics in amorphous pharmaceutically important protic ionic liquid–benzalkonium chloride

2018 ◽  
Vol 251 ◽  
pp. 487-491 ◽  
Author(s):  
Safna Hussan K.P. ◽  
Mohamed Shahin Thayyil ◽  
Binesh M. ◽  
S.K. Deshpande ◽  
Vijisha K. Rajan
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Benzalkonium Chloride ◽  
Protic Ionic Liquid
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