Understanding Structural and Transport Properties of Dissolved Li
            2
            S
            8
            in Ionic Liquid Electrolytes through Molecular Dynamics Simulations

Transport Properties ◽

Liquid Electrolytes ◽

Structure and Transport Properties of Lithium-Doped Aprotic and Protic Ionic Liquid Electrolytes: Insights from Molecular Dynamics Simulations

10.1021/acs.jpcb.9b04477 ◽

2019 ◽

Vol 123 (26) ◽

pp. 5588-5600 ◽

Cited By ~ 4

Author(s):

Amir Taghavi Nasrabadi ◽

Venkat Ganesan

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Transport Properties ◽

Protic Ionic Liquid ◽

Liquid Electrolytes ◽

Thermodynamic, Structural and Transport Properties of Tetramethyl Ammonium Fluoride: First Principles Molecular Dynamics Simulations of an Unusual Ionic Liquid

10.1021/jp104261h ◽

2010 ◽

Vol 114 (39) ◽

pp. 12577-12584 ◽

Cited By ~ 25

Author(s):

Bhabani S. Mallik ◽

J. Ilja Siepmann

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

First Principles Molecular Dynamics

Transport Properties ◽

First Principles ◽

Ammonium Fluoride ◽

Tetramethyl Ammonium ◽

Dynamics Simulations ◽

Correction to “Molecular Dynamics Simulations of Lithium Doped Ionic-Liquid Electrolytes”

10.1021/acs.jpcb.9b01428 ◽

2019 ◽

Vol 123 (12) ◽

pp. 2728-2728

Author(s):

Promit Ray ◽

Andrea Balducci ◽

Barbara Kirchner

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Liquid Electrolytes ◽

Molecular Dynamics Simulations of Lithium-Doped Ionic-Liquid Electrolytes

10.1021/acs.jpcb.8b06022 ◽

2018 ◽

Vol 122 (46) ◽

pp. 10535-10547 ◽

Cited By ~ 10

Author(s):

Promit Ray ◽

Andrea Balducci ◽

Barbara Kirchner

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Liquid Electrolytes ◽

Interfacial Polarization and Ionic Structure at the Ionic Liquid–Metal Interface Studied by Vibrational Spectroscopy and Molecular Dynamics Simulations

10.1021/acs.jpcb.0c11232 ◽

2021 ◽

Vol 125 (10) ◽

pp. 2741-2753

Author(s):

Matthew J. Voegtle ◽

Tanmoy Pal ◽

Anuj K. Pennathur ◽

Sevan Menachekanian ◽

Joel G. Patrow ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Liquid Metal ◽

Vibrational Spectroscopy ◽

Interfacial Polarization ◽

Ionic Structure ◽

Metal Interface ◽

Solvent behavior of an ionic liquid set around a cellulose Iβ crystallite model through molecular dynamics simulations

Cellulose ◽

10.1007/s10570-021-03992-7 ◽

2021 ◽

Author(s):

Joel A. Sánchez-Badillo ◽

Marco Gallo ◽

José G. Rutiaga-Quiñones ◽

Pablo López-Albarrán

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Cellulose Iβ ◽

Concentration-Dependent Hydrogen Bond Behavior of Ethylammonium Nitrate Protic Ionic Liquid–Water Mixtures Explored by Molecular Dynamics Simulations

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.7b00205 ◽

2017 ◽

Vol 62 (8) ◽

pp. 2340-2349 ◽

Cited By ~ 15

Author(s):

Yiping Huang ◽

Zheng Wan ◽

Zhen Yang ◽

Yuanhui Ji ◽

Li Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Ionic Liquid ◽

Liquid Water ◽

Protic Ionic Liquid ◽

Bond Behavior ◽

Ethylammonium Nitrate ◽

Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li+ Dynamics Based on Molecular Dynamics Simulations

10.1021/acs.jpcb.1c07581 ◽

2021 ◽

Author(s):

Yong Zhang ◽

Edward J. Maginn

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

Aqueous Electrolytes ◽

Deep learning-driven molecular dynamics simulations of molten carbonates: 1. Local structure and transport properties of molten Li2CO3-Na2CO3 system

Ionics ◽

10.1007/s11581-021-04429-8 ◽

2022 ◽

Author(s):

Taixi Feng ◽

Bo Yang ◽

Guimin Lu

Keyword(s):

Molecular Dynamics ◽

Deep Learning ◽

Transport Properties ◽

Local Structure ◽

Molten Carbonates ◽

Presence of Intra-helical Salt-Bridge in Loop E Half-Helix Can Influence the Transport Properties of AQP1 and GlpF Channels: Molecular Dynamics Simulations of In Silico Mutants

The Journal of Membrane Biology ◽

10.1007/s00232-018-0054-7 ◽

2018 ◽

Vol 252 (1) ◽

pp. 17-29 ◽

Cited By ~ 1

Author(s):

Alok Jain ◽

Ravi Kumar Verma ◽

Ramasubbu Sankararamakrishnan

Keyword(s):

Molecular Dynamics ◽

Transport Properties ◽

In Silico ◽

Salt Bridge ◽