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

Y. Shim; M. Y. Choi; Hyung J. Kim

doi:10.1063/1.1819317

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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A molecular dynamics computer simulation study of room-temperature ionic liquids. II. Equilibrium and nonequilibrium solvation dynamics

The Journal of Chemical Physics ◽

10.1063/1.1819318 ◽

2005 ◽

Vol 122 (4) ◽

pp. 044511 ◽

Cited By ~ 67

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 ◽

Solvation Dynamics ◽

Computer Simulation Study ◽

Nonequilibrium Solvation

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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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Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation study

Soft Matter ◽

10.1039/b710801j ◽

2007 ◽

Vol 3 (11) ◽

pp. 1395 ◽

Cited By ~ 151

Author(s):

B. Lokegowda Bhargava ◽

Russell Devane ◽

Michael L. Klein ◽

Sundaram Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Coarse Grained ◽

Room Temperature Ionic Liquids ◽

Coarse Grained Molecular Dynamics

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Solvation of “big” spherical solutes in room temperature ionic liquids and at their aqueous interface: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2006.08.055 ◽

2007 ◽

Vol 131-132 ◽

pp. 36-47 ◽

Cited By ~ 20

Author(s):

A. Chaumont ◽

G. Wipff

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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A comparison of ether- and alkyl-derivatized imidazolium-based room-temperature ionic liquids: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/b808303g ◽

2008 ◽

Vol 10 (41) ◽

pp. 6301 ◽

Cited By ~ 87

Author(s):

Grant D. Smith ◽

Oleg Borodin ◽

Liyong Li ◽

Hojin Kim ◽

Qin Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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Nanoclusters of room temperature ionic liquids: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/b908339a ◽

2009 ◽

Vol 11 (39) ◽

pp. 8745 ◽

Cited By ~ 9

Author(s):

S.S. Sarangi ◽

B.L. Bhargava ◽

S. Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids

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A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces

Physical Chemistry Chemical Physics ◽

10.1039/c3cp51218e ◽

2013 ◽

Vol 15 (34) ◽

pp. 14234 ◽

Cited By ~ 66

Author(s):

Zongzhi Hu ◽

Jenel Vatamanu ◽

Oleg Borodin ◽

Dmitry Bedrov

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Double Layer ◽

Simulation Study ◽

Electric Double Layer ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

Charged Surfaces

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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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Mechanisms of Focusing in Sputtering: Molecular Dynamics Computer Simulation Study

Ion Beam Modification of Materials ◽

10.1016/b978-0-444-82334-2.50133-7 ◽

1996 ◽

pp. 710-714 ◽

Cited By ~ 7

Author(s):

V.N. Samoilov ◽

O.S. Korsakova ◽

E.L. Rodionova ◽

A.M. Nikitin ◽

V.I. Bachurin

Keyword(s):

Molecular Dynamics ◽

Computer Simulation ◽

Simulation Study ◽

Computer Simulation Study

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