A systematic study via ab-initio MD of the effect solvation by room temperature ionic liquid has on the structure of a chromophore-titania interface

Ab Initio Md

Quaternary Ammonium Room-Temperature Ionic Liquid Including an Oxygen Atom in Side Chain/Lithium Salt Binary Electrolytes: Ab Initio Molecular Orbital Calculations of Interactions between Ions

10.1021/jp803866u ◽

2008 ◽

Vol 112 (32) ◽

pp. 9914-9920 ◽

Cited By ~ 47

Author(s):

Seiji Tsuzuki ◽

Kikuko Hayamizu ◽

Shiro Seki ◽

Yasutaka Ohno ◽

Yo Kobayashi ◽

...

Keyword(s):

Ionic Liquid ◽

Oxygen Atom ◽

Ab Initio ◽

Molecular Orbital ◽

Quaternary Ammonium ◽

Room Temperature ◽

Lithium Salt ◽

Side Chain ◽

Molecular Orbital Calculations

States and migration of an excess electron in a pyridinium-based, room-temperature ionic liquid: an ab initio molecular dynamics simulation exploration

Physical Chemistry Chemical Physics ◽

10.1039/b921104g ◽

2010 ◽

Vol 12 (8) ◽

pp. 1854 ◽

Cited By ~ 25

Author(s):

Zhiping Wang ◽

Liang Zhang ◽

Robert I. Cukier ◽

Yuxiang Bu

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Room Temperature ◽

Excess Electron ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

And Migration

Development of Complex Classical Force Fields through Force Matching to ab Initio Data: Application to a Room-Temperature Ionic Liquid

10.1021/jp056931k ◽

2006 ◽

Vol 110 (11) ◽

pp. 5697-5707 ◽

Cited By ~ 47

Author(s):

Tristan G. A. Youngs ◽

Mario G. Del Pópolo ◽

Jorge Kohanoff

Keyword(s):

Ionic Liquid ◽

Ab Initio ◽

Room Temperature ◽

Force Fields ◽

Force Matching ◽

Data Application

Ab Initio Molecular Dynamics Simulation of a Room Temperature Ionic Liquid

10.1021/jp044414g ◽

2005 ◽

Vol 109 (12) ◽

pp. 5895-5902 ◽

Cited By ~ 183

Author(s):

Mario G. Del Pópolo ◽

Ruth M. Lynden-Bell ◽

Jorge Kohanoff

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Room Temperature ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics

Ab Initio Calculation of Room Temperature Ionic Liquid 1-Ethyl-3-Methyl-Imidazolium Chlorocuprate (I)

Journal of Natural Gas Chemistry ◽

10.1016/s1003-9953(07)60029-2 ◽

2007 ◽

Vol 16 (1) ◽

pp. 70-77 ◽

Cited By ~ 17

Author(s):

Renqing Lü ◽

Hejin Tangbo ◽

Zuogang Cao

Keyword(s):

Ionic Liquid ◽

Ab Initio ◽

Ab Initio Calculation ◽

Room Temperature ◽

Room Temperature Ionic Liquid

Insights into the Structure and Dynamics of a Room-Temperature Ionic Liquid: Ab Initio Molecular Dynamics Simulation Studies of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate ([bmim][PF6]) and the [bmim][PF6]−CO2Mixture

10.1021/jp068898n ◽

2007 ◽

Vol 111 (17) ◽

pp. 4477-4487 ◽

Cited By ~ 118

Author(s):

B. L. Bhargava ◽

S. Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Room Temperature ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Simulation Studies ◽

Structure And Dynamics

Excess Electron Solvation in an Imidazolium-Based Room-Temperature Ionic Liquid Revealed by Ab Initio Molecular Dynamics Simulations

10.1021/jp902575s ◽

2009 ◽

Vol 113 (24) ◽

pp. 8222-8226 ◽

Cited By ~ 36

Author(s):

Zhiping Wang ◽

Liang Zhang ◽

Xiaohua Chen ◽

Robert I. Cukier ◽

Yuxiang Bu

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Room Temperature ◽

Excess Electron ◽

Ab Initio Molecular Dynamics ◽

Electron Solvation ◽

Dynamics Simulations

Reverse-selective behavior of room temperature ionic liquid based membranes for natural gas processing

Journal of Membrane Science ◽

10.1016/j.memsci.2017.09.068 ◽

2018 ◽

Vol 545 ◽

pp. 204-212 ◽

Cited By ~ 6

Author(s):

Amir Khakpay ◽

Paul Scovazzo

Keyword(s):

Ionic Liquid ◽

Natural Gas ◽

Room Temperature ◽

Gas Processing ◽

Natural Gas Processing ◽

Selective Behavior

The Solvent Effect on H2O2 Generation at Room Temperature Ionic Liquid|Water Interface

ChemPhysChem ◽

10.1002/cphc.202100219 ◽

2021 ◽

Author(s):

Marcin Wojciech Opallo ◽

Justyna Kalisz ◽

Wojciech Nogala ◽

Wojciech Adamiak ◽

Mateusz Gocyla ◽

...

Keyword(s):

Ionic Liquid ◽

Solvent Effect ◽

Liquid Water ◽

Room Temperature ◽

Water Interface ◽

H2o2 Generation

Electrochemical Kinetics of Ag|Ag+and TMPD|TMPD+•in the Room-Temperature Ionic Liquid [C4mpyrr][NTf2]; toward Optimizing Reference Electrodes for Voltammetry in RTILs

The Journal of Physical Chemistry C ◽

10.1021/jp0737754 ◽

2007 ◽

Vol 111 (37) ◽

pp. 13957-13966 ◽

Cited By ~ 49

Author(s):

Emma I. Rogers ◽

Debbie S. Silvester ◽

Sarah E. Ward Jones ◽

Leigh Aldous ◽

Christopher Hardacre ◽

...

Keyword(s):

Ionic Liquid ◽

Room Temperature ◽

Electrochemical Kinetics ◽

Reference Electrodes ◽

Kinetics Of