The relation between molecular dynamics and configurational entropy in room temperature ionic liquids: Test of Adam–Gibbs model

S. Cheng; M. Musiał; Z. Wojnarowska; M. Paluch

doi:10.1063/1.5140569

The relation between molecular dynamics and configurational entropy in room temperature ionic liquids: Test of Adam–Gibbs model

The Journal of Chemical Physics ◽

10.1063/1.5140569 ◽

2020 ◽

Vol 152 (9) ◽

pp. 091101 ◽

Cited By ~ 1

Author(s):

S. Cheng ◽

M. Musiał ◽

Z. Wojnarowska ◽

M. Paluch

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Room Temperature ◽

Configurational Entropy ◽

Room Temperature Ionic Liquids ◽

Gibbs Model

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Cover Feature: Ether‐Functionalized Pyrrolidinium‐Based Room Temperature Ionic Liquids: Physicochemical Properties, Molecular Dynamics, and the Lithium Ion Coordination Environment (15/2021)

ChemPhysChem ◽

10.1002/cphc.202100512 ◽

2021 ◽

Vol 22 (15) ◽

pp. 1544-1544

Author(s):

Kazuki Yoshii ◽

Takuya Uto ◽

Takakazu Onishi ◽

Daichi Kosuga ◽

Naoki Tachikawa ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Physicochemical Properties ◽

Room Temperature ◽

Lithium Ion ◽

Room Temperature Ionic Liquids ◽

Coordination Environment

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Ether‐functionalized Pyrrolidinium‐based Room Temperature Ionic Liquids: Physicochemical Properties, Molecular Dynamics, and the Li ion Coordination Environment

ChemPhysChem ◽

10.1002/cphc.202100380 ◽

2021 ◽

Author(s):

Kazuki Yoshii ◽

Takuya Uto ◽

Takakazu Onishi ◽

Daichi Kosuga ◽

Naoki Tachikawa ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Physicochemical Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Coordination Environment ◽

Li Ion

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Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

Chemistry of Materials ◽

10.1021/cm200679y ◽

2011 ◽

Vol 23 (11) ◽

pp. 2979-2986 ◽

Cited By ~ 218

Author(s):

Shyue Ping Ong ◽

Oliviero Andreussi ◽

Yabi Wu ◽

Nicola Marzari ◽

Gerbrand Ceder

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Ionic Liquids ◽

Density Functional ◽

Room Temperature ◽

Density Functional Theory Calculations ◽

Room Temperature Ionic Liquids ◽

Functional Theory

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Room-Temperature Ionic Liquids Interacting with a Phospholipid Bilayer: A Comprehensive Neutron Scattering and Molecular Dynamics Study

Biophysical Journal ◽

10.1016/j.bpj.2013.11.2792 ◽

2014 ◽

Vol 106 (2) ◽

pp. 499a

Author(s):

Antonio Benedetto ◽

Miguel A. Gonzalez ◽

Pietro Ballone

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Neutron Scattering ◽

Room Temperature ◽

Phospholipid Bilayer ◽

Room Temperature Ionic Liquids

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Effects of Silica Surfaces on the Structure and Dynamics of Room-Temperature Ionic Liquids: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b10567 ◽

2017 ◽

Vol 122 (1) ◽

pp. 624-634 ◽

Cited By ~ 18

Author(s):

Tamisra Pal ◽

Constantin Beck ◽

Dominik Lessnich ◽

Michael Vogel

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

Silica Surfaces ◽

Structure And Dynamics

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Molecular Dynamics Study of Polarity in Room-Temperature Ionic Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp035891m ◽

2004 ◽

Vol 108 (3) ◽

pp. 1072-1079 ◽

Cited By ~ 94

Author(s):

Vasiliy Znamenskiy ◽

Mark N. Kobrak

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Room Temperature ◽

Room Temperature Ionic Liquids

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Transport properties of room-temperature ionic liquids from classical molecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.4737388 ◽

2012 ◽

Vol 137 (4) ◽

pp. 044508 ◽

Cited By ~ 27

Author(s):

Oliviero Andreussi ◽

Nicola Marzari

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Transport Properties ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Classical Molecular Dynamics

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A molecular dynamics computer simulation study of room-temperature ionic liquids. I. Equilibrium solvation structure and free energetics

The Journal of Chemical Physics ◽

10.1063/1.1819317 ◽

2005 ◽

Vol 122 (4) ◽

pp. 044510 ◽

Cited By ~ 55

Author(s):

Y. Shim ◽

M. Y. Choi ◽

Hyung J. Kim

Keyword(s):

Molecular Dynamics ◽

Computer Simulation ◽

Ionic Liquids ◽

Simulation Study ◽

Room Temperature ◽

Room Temperature Ionic Liquids ◽

Computer Simulation Study ◽

Solvation Structure

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Ab Initio Molecular Dynamics Studies of the Effect of Solvation by Room-Temperature Ionic Liquids on the Vibrational Properties of a N719-Chromophore/Titania Interface

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b08248 ◽

2018 ◽

Vol 122 (46) ◽

pp. 26464-26471

Author(s):

Aaron Byrne ◽

Yogeshwaran Krishnan ◽

Niall J. English

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Ab Initio ◽

Room Temperature ◽

Ab Initio Molecular Dynamics ◽

Room Temperature Ionic Liquids ◽

Vibrational Properties

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Ammonium based stabilizers effectively counteract urea-induced denaturation in a small protein: insights from molecular dynamics simulations

RSC Advances ◽

10.1039/c7ra10712a ◽

2017 ◽

Vol 7 (83) ◽

pp. 52888-52906 ◽

Cited By ~ 6

Author(s):

Soham Sarkar ◽

Soumadwip Ghosh ◽

Rajarshi Chakrabarti

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Aqueous Solutions ◽

Molecular Dynamics Simulations ◽

Room Temperature ◽

Conformational Stability ◽

Deep Eutectic Solvents ◽

Room Temperature Ionic Liquids ◽

Small Protein ◽

Dynamics Simulations

Room temperature ionic liquids (IL) and deep eutectic solvents (DES) are known to aid the conformational stability and activity of proteins and enzymes in aqueous solutions.

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