Ion pairing and preferential solvation of butylmethylimidazolium chloride ion pair in water-ethanol mixtures by using molecular dynamics simulations

Preferential Solvation ◽

Chloride Ion ◽

Ion Pairing ◽

Ion Pair ◽

The effect of water models on the interaction of the sodium–chloride ion pair in water: Molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.459714 ◽

1990 ◽

Vol 93 (10) ◽

pp. 7528-7529 ◽

Cited By ~ 54

Author(s):

Liem X. Dang ◽

Julia E. Rice ◽

Peter A. Kollman

Keyword(s):

Molecular Dynamics ◽

Sodium Chloride ◽

Chloride Ion ◽

Ion Pair ◽

Effect Of Water ◽

Water Models ◽

Molecular dynamics simulations of K+–Cl− ion pair in polar mixtures of acetone and water: Preferential solvation and structural studies

Journal of Molecular Liquids ◽

10.1016/j.molliq.2015.11.020 ◽

2016 ◽

Vol 213 ◽

pp. 276-288 ◽

Cited By ~ 2

Author(s):

Asrar A. Siddique ◽

Bhalachandra L. Tembe

Keyword(s):

Molecular Dynamics ◽

Preferential Solvation ◽

Ion Pair ◽

Structural Studies ◽

Polar Mixtures ◽

Molecular Dynamics Simulations, Solvatochromic Parameters, and Preferential Solvation in Aqueous Solutions of Ethaline, Ethylene Glycol, and Choline Chloride

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.0c00381 ◽

2020 ◽

Vol 65 (9) ◽

pp. 4556-4566 ◽

Cited By ~ 1

Author(s):

Meysam Aryafard ◽

Anis Karimi ◽

Ali Reza Harifi-Mood ◽

Babak Minofar

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Aqueous Solutions ◽

Choline Chloride ◽

Preferential Solvation ◽

Solvatochromic Parameters ◽

Structure and dynamics of chloride ion pumping rhodopsin revealed by time-resolved SFX and atomic molecular dynamics simulations

Acta Crystallographica Section A Foundations and Advances ◽

10.1107/s0108767319096363 ◽

2019 ◽

Vol 75 (a1) ◽

pp. a373-a373

Author(s):

Haiguang Liu ◽

Ji-Hye Yun ◽

Xuanxuan Li ◽

Jae-Hyun Park ◽

Zeyu Jin ◽

...

Keyword(s):

Molecular Dynamics ◽

Chloride Ion ◽

Time Resolved ◽

Structure And Dynamics ◽

Dynamics Simulations ◽

Ion Pumping

Car-Parrinello molecular dynamics simulations of Na^{+}-Cl^{-} ion pair in liquid water

Condensed Matter Physics ◽

10.5488/cmp.7.4.683 ◽

2004 ◽

Vol 7 (4) ◽

pp. 683 ◽

Cited By ~ 17

Author(s):

Khalack ◽

Lyubartsev

Keyword(s):

Molecular Dynamics ◽

Liquid Water ◽

Ion Pair ◽

Molecular dynamics simulations of Na+-Cl− ion-pair in supercritical methanol

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2015.04.018 ◽

2015 ◽

Vol 103 ◽

pp. 61-69 ◽

Cited By ~ 8

Author(s):

Sonanki Keshri ◽

Atanu Sarkar ◽

B.L. Tembe

Keyword(s):

Molecular Dynamics ◽

Ion Pair ◽

Supercritical Methanol ◽

Preferential solvation of Ca2+ in aqueous ammonia solution: Classical and combined ab initio quantum mechanical/molecular mechanical molecular dynamics simulations

Physical Chemistry Chemical Physics ◽

10.1039/b107786d ◽

2002 ◽

Vol 4 (4) ◽

pp. 628-634 ◽

Cited By ~ 20

Author(s):

Anan Tongraar ◽

Kritsana Sagarik ◽

Bernd Michael Rode

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Aqueous Ammonia ◽

Preferential Solvation ◽

Ammonia Solution ◽

Quantum Mechanical ◽

Aqueous Ammonia Solution ◽

Ion Pairing, Clustering and Transport in a LiFSI-TMP Electrolyte as Functions of Salt Concentration using Molecular Dynamics Simulations

Journal of The Electrochemical Society ◽

10.1149/1945-7111/abf0d8 ◽

2021 ◽

Vol 168 (4) ◽

pp. 040511

Author(s):

Diego E. Galvez-Aranda ◽

Jorge M. Seminario

Keyword(s):

Molecular Dynamics ◽

Salt Concentration ◽

Ion Pairing ◽

Molecular dynamics simulations of silicon chloride ion incidence during Si etching in Cl-based plasmas

Japanese Journal of Applied Physics ◽

10.7567/jjap.53.056201 ◽

2014 ◽

Vol 53 (5) ◽

pp. 056201 ◽

Cited By ~ 15

Author(s):

Nobuya Nakazaki ◽

Yoshinori Takao ◽

Koji Eriguchi ◽

Kouichi Ono

Keyword(s):

Molecular Dynamics ◽

Chloride Ion ◽

Propensity for the Air/Water Interface and Ion Pairing in Magnesium Acetate vs Magnesium Nitrate Solutions: Molecular Dynamics Simulations and Surface Tension Measurements

The Journal of Physical Chemistry B ◽

10.1021/jp060627p ◽

2006 ◽

Vol 110 (32) ◽

pp. 15939-15944 ◽

Cited By ~ 57

Author(s):

Babak Minofar ◽

Robert Vácha ◽

Abdul Wahab ◽

Sekh Mahiuddin ◽

Werner Kunz ◽

...

Keyword(s):

Molecular Dynamics ◽

Surface Tension ◽

Ion Pairing ◽

Magnesium Nitrate ◽

Magnesium Acetate ◽

Water Interface ◽

Air Water Interface ◽

Dynamics Simulations ◽

Nitrate Solutions