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TRAVIS – Trajectory Analyzer and Visualizer

TRAVIS

TRAVIS, which stands for Trajectory Analyzer and Visualizer, is a software tool which can compute a plethora of functions and histograms from molecular dynamics and Monte Carlo simulation trajectories. I am the main developer of the TRAVIS program package.

Please visit the TRAVIS website:  www.travis-analyzer.de

Please see also our new tutorial on computing vibrational spectra with CP2k and TRAVIS (Oct 2018).


— Work Citing TRAVIS —

This is a list of publications which cite the original TRAVIS article from 2011. Currently, there are 405 such publications, written by 833 different authors.
384 out of these (94.81 %) actually used TRAVIS for results in the manuscript.

Only showing work with “SDFs (Spatial Distribution Functions)” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

200 citations match the query.  Show continuous list view.

— 2020 —

200 E. S. C. Ferreira, I. V. Voroshylova, N. M. Figueiredo, C. M. Pereira, M. N. D. S. Cordeiro:
"Computational and Experimental Study of Propeline: A Choline Chloride Based Deep Eutectic Solvent"
J. Mol. Liq. 2020, 298, 111978.     (DOI 10.1016/j.molliq.2019.111978 ) ⭳ Bib
Uses TRAVIS for
SDF
.
199 M. M. Alavianmehr, R. Ahmadi, N. Aguilar, M. El-Shaikh, S. M. Hosseini, S. Aparicio:
"Thermophysical and Molecular Modelling Insights into Glycerol + Alcohol Liquid Mixtures"
J. Mol. Liq. 2020, 297, 111811.     (DOI 10.1016/j.molliq.2019.111811 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
198 A. S. Tot, Č. Podlipnik, M. Bešter-Rogač, S. B. Gadžurić, M. B. Vraneš:
"Influence of Oxygen Functionalization on Physico-Chemical Properties of Imidazolium Based Ionic Liquids – Experimental and Computational Study"
Arabian J. Chem. 2020, 13 (1), 1598–1611.     (DOI 10.1016/j.arabjc.2017.12.011 ) ⭳ Bib
Uses TRAVIS for
SDF
.
197 K. Bernardino, K. Goloviznina, M. C. Gomes, A. A. H. Pádua, M. C. C. Ribeiro:
"Ion Pair Free Energy Surface as a Probe of Ionic Liquid Structure"
J. Chem. Phys. 2020, 152 (1), 14103.     (DOI 10.1063/1.5128693 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
196 T. D. N. Reddy, B. S. Mallik:
"Nanostructure Domains, Voids, and Low-Frequency Spectra in Binary Mixtures of N,N-Dimethylacetamide and Ionic Liquids with Varying Cationic Size"
RSC Adv. 2020, 10 (3), 1811–1827.     (DOI 10.1039/C9RA09041J ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF, Aggr, Domain.
195 A. Gutiérrez, M. M. Alavianmehr, S. M. Hosseini, R. Ahmadi, S. Aparicio:
"Theoretical Study of Hydrogen Bonding in Complex Alcohol Liquid Mixtures"
J. Mol. Liq. 2020, 300, 112331.     (DOI 10.1016/j.molliq.2019.112331 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, SFac.
194 H. N. Dilip, D. Chakraborty:
"Effect of Cosolvents in the Preferential Binding Affinity of Water in Aqueous Solutions of Amino Acids and Amides"
J. Mol. Liq. 2020, 300, 112375.     (DOI 10.1016/j.molliq.2019.112375 ) ⭳ Bib
Uses TRAVIS for
SDF
.
193 T. D. N. Reddy, B. S. Mallik:
"Hydration Behavior of Protic Ionic Pair of Methyl Ammonium Formate: A Comparative Molecular Dynamics Simulation Study with Their Conjugate Neutral Forms"
Comput. Theor. Chem. 2020, 1172, 112663.     (DOI 10.1016/j.comptc.2019.112663 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
192 A. Biswas, B. S. Mallik:
"Distinctive Behavior and Two-Dimensional Vibrational Dynamics of Water Molecules inside Glycine Solvation Shell"
RSC Adv. 2020, 10 (11), 6658–6670.     (DOI 10.1039/C9RA10521B ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
191 T. D. N. Reddy, B. S. Mallik:
"Heterogeneity in the Microstructure and Dynamics of Tetraalkylammonium Hydroxide Ionic Liquids: Insight from Classical Molecular Dynamics Simulations and Voronoi Tessellation Analysis"
Phys. Chem. Chem. Phys. 2020, 22 (6), 3466–3480.     (DOI 10.1039/C9CP06796E ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF, Voro, Domain.
190 J. L. Trenzado, S. Rozas, R. Alcalde, M. Atilhan, S. Aparicio:
"Intermolecular Forces in Pyrrolidones + 1,2-Alkanediol Liquid Mixtures"
J. Mol. Liq. 2020, 302, 112539.     (DOI 10.1016/j.molliq.2020.112539 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
189 A. Biswas, B. S. Mallik:
"Structure and Stretching Dynamics of Water Molecules around an Amphiphilic Amide from FPMD Simulations: A Case Study of N,N-Dimethylformamide"
J. Mol. Liq. 2020, 302, 112524.     (DOI 10.1016/j.molliq.2020.112524 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
188 T. R. Kartha, B. S. Mallik:
"Revisiting LiClO4 as an Electrolyte for Li-Ion Battery: Effect of Aggregation Behavior on Ion-Pairing Dynamics and Conductance"
J. Mol. Liq. 2020, 302, 112536.     (DOI 10.1016/j.molliq.2020.112536 ) ⭳ Bib
Uses TRAVIS for
SDF
.
187 S. Biswas, B. S. Mallik:
"Aqueous Hydroxyl Group as the Vibrational Probe to Access the Hydrophobicity of Amide Derivatives"
J. Mol. Liq. 2020, 301, 112395.     (DOI 10.1016/j.molliq.2019.112395 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
186 M. A. A. Rocha, D. Kerlé, J. Kiefer, W. Schröer, B. Rathke:
"Liquid–Liquid Phase Behavior of Solutions of 1,3-Diethylimidazolium Bis((trifluoromethyl)sulfonyl)amide in N-Alkyl Alcohols"
J. Chem. Eng. Data 2020, 65 (3), 1345–1357.     (DOI 10.1021/acs.jced.9b00800 ) ⭳ Bib
Uses TRAVIS for
SDF
.
185 R. Paul, S. Paul:
"Computational Study of Encapsulation of Polyaromatic Hydrocarbons by Endo-Functionalized Receptors in Nonpolar Medium"
J. Chem. Inf. Model. 2020, 60 (1), 212–225.     (DOI 10.1021/acs.jcim.9b00799 ) ⭳ Bib
Uses TRAVIS for
SDF
.
184 G. I. Olgenblum, L. Sapir, D. Harries:
"Properties of Aqueous Trehalose Mixtures: Glass Transition and Hydrogen Bonding"
J. Chem. Theory Comput. 2020, 16 (2), 1249–1262.     (DOI 10.1021/acs.jctc.9b01071 ) ⭳ Bib
Uses TRAVIS for
SDF
.
183 L. G. Celia-Silva, P. B. Vilela, P. Morgado, E. F. Lucas, L. F. G. Martins, E. J. M. Filipe:
"Preaggregation of Asphaltenes in the Presence of Natural Polymers by Molecular Dynamics Simulation"
Energy Fuels 2020, 34 (2), 1581–1591.     (DOI 10.1021/acs.energyfuels.9b03703 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, Domain.
182 J. G. Neumann, H. Stassen:
"Anion Effect on Gas Absorption in Imidazolium-Based Ionic Liquids"
J. Chem. Inf. Model. 2020, 60 (2), 661–666.     (DOI 10.1021/acs.jcim.9b00885 ) ⭳ Bib
Uses TRAVIS for
SDF
.
181 K. G. Chattaraj, R. Paul, S. Paul:
"Switching of Self-Assembly to Solvent-Assisted Assembly of Molecular Motor: Unveiling the Mechanisms of Dynamic Control on Solvent Exchange"
Langmuir 2020, 36 (7), 1773–1792.     (DOI 10.1021/acs.langmuir.9b03718 ) ⭳ Bib
Uses TRAVIS for
SDF
.
180 A. Triolo, F. Lo Celso, O. Russina:
"Structural Features of β-Cyclodextrin Solvation in the Deep Eutectic Solvent, Reline"
J. Phys. Chem. B 2020, accepted.     (DOI 10.1021/acs.jpcb.0c00876 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
179 A. Gutiérrez, M. Atilhan, S. Aparicio:
"Theoretical Study on Deep Eutectic Solvents As Vehicles for the Delivery of Anesthetics"
J. Phys. Chem. B 2020, 124 (9), 1794–1805.     (DOI 10.1021/acs.jpcb.9b11756 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.

— 2019 —

178 S. Pal, S. Paul:
"Conformational Deviation of Thrombin Binding G-Quadruplex Aptamer (TBA) in Presence of Divalent Cation Sr2+: A Classical Molecular Dynamics Simulation Study"
Int. J. Biol. Macromol. 2019, 121, 350–363.     (DOI 10.1016/j.ijbiomac.2018.09.102 ) ⭳ Bib
Uses TRAVIS for
SDF
.
177 S. Ebrahimi, M. H. Kowsari:
"Fine Probing the Effect of Replacing [PF6]− with [PF3(C2F5)3] − On the Local Structure and Nanoscale Organization of [BMIm]+ -based Ionic Liquids Using MD Simulation"
Phys. Chem. Chem. Phys. 2019, 21 (6), 3195–3210.     (DOI 10.1039/C8CP07829G ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, CDF.
176 K. G. Chattaraj, S. Paul:
"How Does Temperature Modulate the Structural Properties of Aggregated Melamine in Aqueous Solution—An Answer from Classical Molecular Dynamics Simulation"
J. Chem. Phys. 2019, 150 (6), 64501.     (DOI 10.1063/1.5066388 ) ⭳ Bib
Uses TRAVIS for
SDF
, Aggr.
175 P. Ray, R. Elfgen, B. Kirchner:
"Cation Influence on Heterocyclic Ammonium Ionic Liquids: A Molecular Dynamics Study"
Phys. Chem. Chem. Phys. 2019, 21 (8), 4472–4486.     (DOI 10.1039/C8CP07683A ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, CDF, Domain.
174 M. Shafiei, M. von Domaros, D. Bratko, A. Luzar:
"Anisotropic Structure and Dynamics of Water under Static Electric Fields"
J. Chem. Phys. 2019, 150 (7), 74505.     (DOI 10.1063/1.5079393 ) ⭳ Bib
Uses TRAVIS for
SDF
.
173 S. Shokri, O. Naderi, K. Moradi, R. Sadeghi, S. Ebrahimi:
"A Combined Molecular Dynamic Simulation and Experimental Study of Thermo-Physical Properties of the New Synthesized Amino Acid-Based Ionic Liquids"
J. Mol. Liq. 2019, 277, 290–301.     (DOI 10.1016/j.molliq.2018.12.094 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, MSD.
172 M. Fakhraee:
"Amino Acid Ionic Liquids Based on Imidazolium-Hydroxyl Functionalized Cation: New Insight from Molecular Dynamics Simulations"
J. Mol. Liq. 2019, 279, 51–62.     (DOI 10.1016/j.molliq.2019.01.109 ) ⭳ Bib
Uses TRAVIS for
SDF
.
171 F. G. A. Estrada, J. M. C. Marques, A. J. M. Valente:
"Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water"
ChemistryOpen 2019, 8 (4), 438–446.     (DOI 10.1002/open.201800293 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
170 N. Schaeffer, G. Pérez-Sánchez, H. Passos, J. R. B. Gomes, N. Papaiconomou, J. A. P. Coutinho:
"Mechanisms of Phase Separation in Temperature-Responsive Acidic Aqueous Biphasic Systems"
Phys. Chem. Chem. Phys. 2019, 21 (14), 7462–7473.     (DOI 10.1039/C8CP07750A ) ⭳ Bib
Uses TRAVIS for
SDF
.
169 G. Cassone, H. Kruse, J. Sponer:
"Interactions between Cyclic Nucleotides and Common Cations: An ab initio Molecular Dynamics Study"
Phys. Chem. Chem. Phys. 2019, 21 (15), 8121–8132.     (DOI 10.1039/C8CP07492E ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
168 K. G. Vishnu, A. Strachan:
"Investigation of Structural Ordering in Network Forming Ionic Liquids: A Molecular Dynamics Study"
J. Chem. Phys. 2019, 150 (14), 144904.     (DOI 10.1063/1.5082186 ) ⭳ Bib
Uses TRAVIS for
SDF
, SFac.
167 J. Sánchez-Badillo, M. Gallo, R. A. Guirado-López, J. López-Lemus:
"Thermodynamic, Structural and Dynamic Properties of Ionic Liquids [C4MIm][CF3COO], [C4MIm][Br] in the Condensed Phase, Using Molecular Simulations"
RSC Adv. 2019, 9 (24), 13677–13695.     (DOI 10.1039/C9RA02058F ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
166 A. Gutiérrez, S. Aparicio, M. Atilhan:
"Design of Arginine-Based Therapeutic Deep Eutectic Solvents as Drug Solubilization Vehicles for Active Pharmaceutical Ingredients"
Phys. Chem. Chem. Phys. 2019, 21 (20), 10621–10634.     (DOI 10.1039/C9CP01408J ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
165 M. B. Vraneš, S. Papović, A. Idrissi, N. Zec, T. Panaget, J. Ajduković, S. B. Gadžurić:
"New Methylpyridinium Ionic Liquids – Influence of the Position of –CH3 Group on Physicochemical and Structural Properties"
J. Mol. Liq. 2019, 283, 208–220.     (DOI 10.1016/j.molliq.2019.03.075 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, CDF.
164 M. E. D. Pietro, T. Margola, G. Celebre, G. D. Luca, G. Saielli:
"A Combined LX-NMR and Molecular Dynamics Investigation of the Bulk and Local Structure of Ionic Liquid Crystals"
Soft Matter 2019, 15 (22), 4486–4497.     (DOI 10.1039/C9SM00612E ) ⭳ Bib
Uses TRAVIS for
SDF
.
163 A. J. Silveira, S. Pereda, F. W. Tavares, C. R. A. Abreu:
"A Molecular Dynamics Study of the Solvation of Carbon Dioxide and Other Compounds in the Ionic Liquids [EMIm][B(CN)4] and [EMIm][NTf2]"
Fluid Phase Equilib. 2019, 491, 1–11.     (DOI 10.1016/j.fluid.2019.03.007 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
162 D. W. Shin, N. L. Mai, S.-W. Bae, Y.-M. Koo:
"Enhanced Lipase-Catalyzed Synthesis of Sugar Fatty Acid Esters Using Supersaturated Sugar Solution in Ionic Liquids"
Enzyme Microb. Technol. 2019, 126, 18–23.     (DOI 10.1016/j.enzmictec.2019.03.004 ) ⭳ Bib
Uses TRAVIS for
SDF
.
161 V. Alizadeh, D. Geller, F. Malberg, P. B. Sánchez, A. A. H. Pádua, B. Kirchner:
"Strong Microheterogeneity in Novel Deep Eutectic Solvents"
ChemPhysChem 2019, 20 (14), 1786–1792.     (DOI 10.1002/cphc.201900307 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, CDF, Domain.
160 A. Puglisi, T. Giovannini, L. Antonov, C. Cappelli:
"Interplay between Conformational and Solvent Effects in UV-Visible Absorption Spectra: Curcumin Tautomers as a Case Study"
Phys. Chem. Chem. Phys. 2019, 21 (28), 15504–15514.     (DOI 10.1039/C9CP00907H ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
159 V. A. Koverga, I. V. Voroshylova, Y. Smortsova, F.-A. Miannay, M. N. D. S. Cordeiro, A. Idrissi, O. N. Kalugin:
"Local Structure and Hydrogen Bonding in Liquid Γ-Butyrolactone and Propylene Carbonate: A Molecular Dynamics Simulation"
J. Mol. Liq. 2019, 287, 110912.     (DOI 10.1016/j.molliq.2019.110912 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
158 K. G. Chattaraj, S. Paul:
"Underlying Mechanistic Insights into the Structural Properties of Melamine and Uric Acid Complexes with Compositional Variation under Ambient Conditions"
J. Chem. Phys. 2019, 151 (5), 54503.     (DOI 10.1063/1.5094220 ) ⭳ Bib
Uses TRAVIS for
SDF
.
157 M. Zhao, B. Wu, S. I. Lall-Ramnarine, J. D. Ramdihal, K. A. Papacostas, E. D. Fernandez, R. A. Sumner, C. J. Margulis, J. F. Wishart, E. W. Castner:
"Structural Analysis of Ionic Liquids with Symmetric and Asymmetric Fluorinated Anions"
J. Chem. Phys. 2019, 151 (7), 74504.     (DOI 10.1063/1.5111643 ) ⭳ Bib
Uses TRAVIS for
SDF
.
156 Q. Parker, R. G. Bell, N. H. de Leeuw:
"Structural and Dynamical Properties of Ionic Liquids: A Molecular Dynamics Study Employing Dlpoly 4"
Mol. Simul. 2019, 1–9.     (DOI 10.1080/08927022.2019.1651931 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
155 F. Lo Celso, G. B. Appetecchi, E. Simonetti, U. Keiderling, L. Gontrani, A. Triolo, O. Russina:
"Mesoscopic Structural Organization in Fluorinated Pyrrolidinium-Based Room Temperature Ionic Liquids"
J. Mol. Liq. 2019, 289, 111110.     (DOI 10.1016/j.molliq.2019.111110 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
154 O. W. Kgagodi, F. Mbaiwa:
"Investigation of Alcohol Conformer Distribution and Hydrogen Bonding in (2,2′-Difurylmethane + n-Propanol or n-Butanol) Binary Mixtures Using Molecular Dynamics Simulations"
Chemistry Africa 2019, 2 (3), 455–461.     (DOI 10.1007/s42250-019-00057-y ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
153 D. O. Abranches, N. Schaeffer, L. P. Silva, M. A. R. Martins, S. P. Pinho, J. A. P. Coutinho:
"The Role of Charge Transfer in the Formation of Type I Deep Eutectic Solvent-Analogous Ionic Liquid Mixtures"
Molecules 2019, 24 (20), 3687.     (DOI 10.3390/molecules24203687 ) ⭳ Bib
Uses TRAVIS for
SDF
, Domain.
152 H. Goel, Z. W. Windom, A. A. Jackson, N. Rai:
"CO2 Sorption in Triethyl(butyl)phosphonium 2-Cyanopyrrolide Ionic Liquid via First Principles Simulations"
J. Mol. Liq. 2019, 292, 111323.     (DOI 10.1016/j.molliq.2019.111323 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, MSD, Spec.
151 R. E. Duke, G. A. Cisneros:
"Ewald-Based Methods for Gaussian Integral Evaluation: Application to a New Parameterization of GEM*"
J. Mol. Model. 2019, 25 (10), 307.     (DOI 10.1007/s00894-019-4194-1 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
150 P. P. Fehér, A. Stirling:
"Assessment of Reactivities with Explicit and Implicit Solvent Models: QM/MM and Gas-Phase Evaluation of Three Different Ag-Catalysed Furan Ring Formation Routes"
New J. Chem. 2019, 43 (39), 15706–15713.     (DOI 10.1039/C9NJ04003J ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
149 A. Mariani, M. Bonomo, S. Passerini:
"Statistic-Driven Proton Transfer Affecting Nanoscopic Organization in an Ethylammonium Nitrate Ionic Liquid and 1,4-Diaminobutane Binary Mixture: A Steamy Pizza Model"
Symmetry 2019, 11 (11), 1425.     (DOI 10.3390/sym11111425 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, SFac.
148 J. L. Trenzado, A. Gutiérrez, R. Alcalde, M. Atilhan, S. Aparicio:
"Insights on [BMIm][BF4] and [BMIm][PF6] Ionic Liquids and Their Binary Mixtures with Acetone and Acetonitrile"
J. Mol. Liq. 2019, 294, 111632.     (DOI 10.1016/j.molliq.2019.111632 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
147 N. M. Figueiredo, I. V. Voroshylova, V. A. Koverga, E. S. C. Ferreira, M. N. D. S. Cordeiro:
"Influence of Alcohols on the Inter-Ion Interactions in Ionic Liquids: A Molecular Dynamics Study"
J. Mol. Liq. 2019, 294, 111538.     (DOI 10.1016/j.molliq.2019.111538 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
.
146 S. Paul, S. Paul:
"The Conformational Stability of Terminal Helices of λ-Repressor Protein in Aqueous Dodine and Choline-O-Sulfate Solutions"
Int. J. Biol. Macromol. 2019, accepted.     (DOI 10.1016/j.ijbiomac.2019.11.013 ) ⭳ Bib
Uses TRAVIS for
SDF
.
145 C. Hölzl, P. Kibies, S. Imoto, J. Noetzel, M. Knierbein, P. Salmen, M. Paulus, J. Nase, C. Held, G. Sadowski, D. Marx, S. M. Kast, D. Horinek:
"Structure and Thermodynamics of Aqueous Urea Solutions from Ambient to Kilobar Pressures: From Thermodynamic Modeling, Experiments, and First Principles Simulations to an Accurate Force Field Description"
Biophys. Chem. 2019, 254, 106260.     (DOI 10.1016/j.bpc.2019.106260 ) ⭳ Bib
Uses TRAVIS for
SDF
.
144 A. Triolo, F. Lo Celso, C. Ottaviani, P. Ji, G. B. Appetecchi, F. Leonelli, D. S. Keeble, O. Russina:
"Structural Features of Selected Protic Ionic Liquids Based on a Super-Strong Base"
Phys. Chem. Chem. Phys. 2019, 21 (45), 25369–25378.     (DOI 10.1039/C9CP03927A ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
143 A. M. Sampaio, E. E. Fileti, L. J. A. Siqueira:
"Atomistic Study of the Physical Properties of Sulfonium-Based Ionic Liquids as Electrolyte for Supercapacitors"
J. Mol. Liq. 2019, 296, 112065.     (DOI 10.1016/j.molliq.2019.112065 ) ⭳ Bib
Uses TRAVIS for
SDF
.
142 E. A. Vázquez-Montelongo, G. A. Cisneros, H. M. Flores-Ruiz:
"Multipolar/Polarizable Molecular Dynamics Simulations of Liquid–Liquid Extraction of Benzene from Hydrocarbons Using Ionic Liquids"
J. Mol. Liq. 2019, 296, 111846.     (DOI 10.1016/j.molliq.2019.111846 ) ⭳ Bib
Uses TRAVIS for
SDF
.
141 S. M. Melnikov, M. Stein:
"Solvation and Dynamics of CO2 in Aqueous Alkanolamine Solutions"
ACS Sustainable Chem. Eng. 2019, 7 (1), 1028–1037.     (DOI 10.1021/acssuschemeng.8b04666 ) ⭳ Bib
Uses TRAVIS for
SDF
.
140 S. Biswas, B. S. Mallik:
"Vibration Spectral Dynamics of Weakly Coordinating Water Molecules near an Anion: FPMD Simulations of an Aqueous Solution of Tetrafluoroborate"
J. Phys. Chem. B 2019, 123 (9), 2135–2146.     (DOI 10.1021/acs.jpcb.9b00069 ) ⭳ Bib
Uses TRAVIS for
SDF
.
139 A. Gupta, S. Kaur, H. K. Kashyap:
"How Water Permutes the Structural Organization and Microscopic Dynamics of Cholinium Glycinate Biocompatible Ionic Liquid"
J. Phys. Chem. B 2019, 123 (9), 2057–2069.     (DOI 10.1021/acs.jpcb.8b10235 ) ⭳ Bib
Uses TRAVIS for
SDF
.
138 D. Ojha, A. Chandra:
"Urea in Water: Structure, Dynamics, and Vibrational Echo Spectroscopy from First-Principles Simulations"
J. Phys. Chem. B 2019, 123 (15), 3325–3336.     (DOI 10.1021/acs.jpcb.9b01904 ) ⭳ Bib
Uses TRAVIS for
SDF
.
137 S. Pal, S. Paul:
"Effect of Hydrated and Nonhydrated Choline Chloride–Urea Deep Eutectic Solvent (Reline) on Thrombin-Binding G-Quadruplex Aptamer (TBA): A Classical Molecular Dynamics Simulation Study"
J. Phys. Chem. C 2019, 123 (18), 11686–11698.     (DOI 10.1021/acs.jpcc.9b01111 ) ⭳ Bib
Uses TRAVIS for
SDF
.
136 M. Moosavi, N. Banazadeh, M. Torkzadeh:
"Structure and Dynamics in Amino Acid Choline-Based Ionic Liquids: A Combined QTAIM, NXI, DFT, and Molecular Dynamics Study"
J. Phys. Chem. B 2019, 123 (18), 4070–4084.     (DOI 10.1021/acs.jpcb.9b01799 ) ⭳ Bib
Uses TRAVIS for
SDF
.
135 M. Pagliai, G. Funghi, D. Vassetti, P. Procacci, R. Chelli, G. Cardini:
"Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with Concentration"
J. Phys. Chem. B 2019, 123 (18), 4055–4064.     (DOI 10.1021/acs.jpcb.9b01611 ) ⭳ Bib
Uses TRAVIS for
SDF
.
134 M. Brehm, M. Pulst, J. Kressler, D. Sebastiani:
"Triazolium-Based Ionic Liquids: A Novel Class of Cellulose Solvents"
J. Phys. Chem. B 2019, 123 (18), 3994–4003.     (DOI 10.1021/acs.jpcb.8b12082 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
133 A. T. Nasrabadi, V. Ganesan:
"Structure and Transport Properties of Lithium-Doped Aprotic and Protic Ionic Liquid Electrolytes: Insights from Molecular Dynamics Simulations"
J. Phys. Chem. B 2019, 123 (26), 5588–5600.     (DOI 10.1021/acs.jpcb.9b04477 ) ⭳ Bib
Uses TRAVIS for
SDF
.
132 J. Norell, A. Ljungdahl, M. Odelius:
"Interdependent Electronic Structure, Protonation, and Solvatization of Aqueous 2-Thiopyridone"
J. Phys. Chem. B 2019, 123 (26), 5555–5567.     (DOI 10.1021/acs.jpcb.9b03084 ) ⭳ Bib
Uses TRAVIS for
SDF
.
131 Z. Gong, H. Sun:
"Extension of Team Force-Field Database to Ionic Liquids"
J. Chem. Eng. Data 2019, 64 (9), 3718–3730.     (DOI 10.1021/acs.jced.9b00050 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
130 T. Aashish, B. S. Mallik:
"Rattling Transport of Lithium Ion in the Cavities of Model Solid Electrolyte Interphase"
J. Phys. Chem. C 2019, 123 (41), 25015–25024.     (DOI 10.1021/acs.jpcc.9b04160 ) ⭳ Bib
Uses TRAVIS for
SDF
, SFac.
129 M. Fakhraee, O. Akhavan:
"Ultrahigh Permeable C2N-Inspired Graphene Nanomesh Membranes Versus Highly Strained C2N for Reverse Osmosis Desalination"
J. Phys. Chem. B 2019, 123 (41), 8740–8752.     (DOI 10.1021/acs.jpcb.9b07015 ) ⭳ Bib
Uses TRAVIS for
SDF
.
128 A. Biswas, A. Priyadarsini, B. S. Mallik:
"Dynamics and Spectral Response of Water Molecules around Tetramethylammonium Cation"
J. Phys. Chem. B 2019, 123 (41), 8753–8766.     (DOI 10.1021/acs.jpcb.9b05466 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
127 K. Bernardino, T. A. Lima, M. C. C. Ribeiro:
"Low-Temperature Phase Transitions of the Ionic Liquid 1-Ethyl-3-methylimidazolium Dicyanamide"
J. Phys. Chem. B 2019, 123 (44), 9418–9427.     (DOI 10.1021/acs.jpcb.9b07654 ) ⭳ Bib
Uses TRAVIS for
SDF
, Aggr.
126 I. Shumilin, C. Allolio, D. Harries:
"How Sugars Modify Caffeine Self-Association and Solubility: Resolving a Mechanism of Selective Hydrotropy"
J. Am. Chem. Soc. 2019, 141 (45), 18056–18063.     (DOI 10.1021/jacs.9b07056 ) ⭳ Bib
Uses TRAVIS for
SDF
.
125 R. Gupta, T. R. Kartha, B. S. Mallik:
"Solvation Structure and Dynamics of Alkali Metal Halides in an Ionic Liquid from Classical Molecular Dynamics Simulations"
ACS Omega 2019, 4 (22), 19556–19564.     (DOI 10.1021/acsomega.9b01672 ) ⭳ Bib
Uses TRAVIS for
SDF
.
124 M. Segado, M. Nyman, C. Bo:
"Aggregation Patterns in Low- and High-Charge Anions Define Opposite Solubility Trends"
J. Phys. Chem. B 2019, 123 (49), 10505–10513.     (DOI 10.1021/acs.jpcb.9b08571 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.

— 2018 —

123 V. A. Koverga, O. N. Kalugin, F.-A. Miannay, Y. Smortsova, K. Goloviznina, B. A. Marekha, P. Jedlovszky, A. Idrissi:
"The Local Structure in the BMImPF6 / Acetonitrile Mixture: The Charge Distribution Effect"
Phys. Chem. Chem. Phys. 2018, 20 (34), 21890–21902.     (DOI 10.1039/C8CP03546F ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, CDF.
122 K. Newcomb, S. P. Tiwari, N. Rai, E. J. Maginn:
"A Molecular Dynamics Investigation of Actinyl–Ligand Speciation in Aqueous Solution"
Phys. Chem. Chem. Phys. 2018, 20 (23), 15753–15763.     (DOI 10.1039/C8CP01944D ) ⭳ Bib
Uses TRAVIS for
SDF
.
121 B. Docampo-Álvarez, V. Gómez-González, T. Méndez-Morales, J. R. Rodríguez, O. Cabeza, M. Turmine, L. J. Gallego, L. M. Varela:
"The Effect of Alkyl Chain Length on the Structure and Thermodynamics of Protic–Aprotic Ionic Liquid Mixtures: A Molecular Dynamics Study"
Phys. Chem. Chem. Phys. 2018, 20 (15), 9938–9949.     (DOI 10.1039/C8CP00575C ) ⭳ Bib
Uses TRAVIS for
SDF
.
120 F. Sessa, V. Migliorati, A. Serva, A. Lapi, G. Aquilanti, G. Mancini, P. D'Angelo:
"On the Coordination of Zn2+ Ion in Tf2N− Based Ionic Liquids: Structural and Dynamic Properties Depending on the Nature of the Organic Cation"
Phys. Chem. Chem. Phys. 2018, 20 (4), 2662–2675.     (DOI 10.1039/C7CP07497B ) ⭳ Bib
Uses TRAVIS for
SDF
.
119 M. Moosavi, F. Khashei, E. Sedghamiz:
"Molecular Dynamics Simulation of Geminal Dicationic Ionic Liquids [Cn(MIm)2][NTf2]2 – Structural and Dynamical Properties"
Phys. Chem. Chem. Phys. 2018, 20 (1), 435–448.     (DOI 10.1039/C7CP05681H ) ⭳ Bib
Uses TRAVIS for
SDF
.
118 P. F. Cardoso, J. S. L. C. Fernandez, L. F. Lepre, R. A. Ando, M. C. Gomes, L. J. A. Siqueira:
"Molecular Dynamics Simulations of Polyethers and a Quaternary Ammonium Ionic Liquid as CO2 Absorbers"
J. Chem. Phys. 2018, 148 (13), 134908.     (DOI 10.1063/1.5019431 ) ⭳ Bib
Uses TRAVIS for
SDF
.
117 F. Lo Celso, G. B. Appetecchi, C. J. Jafta, L. Gontrani, J. N. C. Lopes, A. Triolo, O. Russina:
"Nanoscale Organization in the Fluorinated Room Temperature Ionic Liquid: Tetraethyl Ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide"
J. Chem. Phys. 2018, 148 (19), 193816.     (DOI 10.1063/1.5016236 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
116 E. Perlt, P. Ray, A. Hansen, F. Malberg, S. Grimme, B. Kirchner:
"Finding the Best Density Functional Approximation to Describe Interaction Energies and Structures of Ionic Liquids in Molecular Dynamics Studies"
J. Chem. Phys. 2018, 148 (19), 193835.     (DOI 10.1063/1.5013122 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, SFac.
115 R. Stefanovic, G. B. Webber, A. J. Page:
"Nanostructure of Propylammonium Nitrate in the Presence of Poly(ethylene Oxide) and Halide Salts"
J. Chem. Phys. 2018, 148 (19), 193826.     (DOI 10.1063/1.5012801 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, MSD.
114 T. Giovannini, M. Ambrosetti, C. Cappelli:
"A Polarizable Embedding Approach to Second Harmonic Generation (SHG) of Molecular Systems in Aqueous Solutions"
Theor. Chem. Acc. 2018, 137 (6), 74.     (DOI 10.1007/s00214-018-2247-7 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
113 S. Agrawal, H. K. Kashyap:
"Structures of Binary Mixtures of Ionic Liquid 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide with Primary Alcohols: The Role of Hydrogen-Bonding"
J. Mol. Liq. 2018, 261, 337–349.     (DOI 10.1016/j.molliq.2018.03.124 ) ⭳ Bib
Uses TRAVIS for
SDF
.
112 F. Lo Celso, Y. Yoshida, R. Lombardo, C. J. Jafta, L. Gontrani, A. Triolo, O. Russina:
"Mesoscopic Structural Organization in Fluorinated Room Temperature Ionic Liquids"
C. R. Chim. 2018, 21 (8), 757–770.     (DOI 10.1016/j.crci.2018.02.001 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, SFac.
111 I. B. H. Prastiawan, J. Xu, Y. Ootani, Y. Higuchi, N. Ozawa, S. Maruyama, Y. Matsumoto, M. Kubo:
"Molecular Interactions between Pentacene and Imidazolium Ionic Liquids: A Molecular Dynamics Study"
Chem. Lett. 2018, 47 (9), 1154–1157.     (DOI 10.1246/cl.180450 ) ⭳ Bib
Uses TRAVIS for
SDF
.
110 M. H. Kowsari, L. Tohidifar:
"Systematic Evaluation and Refinement of Existing All‐Atom Force Fields for the Simulation of Liquid Acetonitrile"
J. Comput. Chem. 2018, 39 (23), 1843–1853.     (DOI 10.1002/jcc.25337 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
109 S. A. Pylaeva, M. Brehm, D. Sebastiani:
"Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect"
Sci. Rep. 2018, 8 (1), 13626.     (DOI 10.1038/s41598-018-31935-z ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, Aggr, MSD, RDyn.
108 M. Pezeshki, M. H. Ghatee:
"Properties Investigation of Protic Morpholinium-Based Ionic Liquids by Molecular Dynamics Simulation and Quantum Chemical Calculations"
J. Mol. Liq. 2018, 272, 554–564.     (DOI 10.1016/j.molliq.2018.09.053 ) ⭳ Bib
Uses TRAVIS for
SDF
.
107 S. T. Keaveney, J. B. Harper, A. K. Croft:
"Ion-Reagent Interactions Contributing to Ionic Liquid Solvent Effects on a Condensation Reaction"
ChemPhysChem 2018, 19 (23), 3279–3287.     (DOI 10.1002/cphc.201800695 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
106 E. O. Fetisov, D. B. Harwood, I.-F. W. Kuo, S. E. E. Warrag, M. C. Kroon, C. J. Peters, J. I. Siepmann:
"First-Principles Molecular Dynamics Study of a Deep Eutectic Solvent: Choline Chloride/Urea and Its Mixture with Water"
J. Phys. Chem. B 2018, 122 (3), 1245–1254.     (DOI 10.1021/acs.jpcb.7b10422 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF, Spec.
105 S. Yadav, A. Chandra:
"Structural and Dynamical Nature of Hydration Shells of the Carbonate Ion in Water: An ab initio Molecular Dynamics Study"
J. Phys. Chem. B 2018, 122 (4), 1495–1504.     (DOI 10.1021/acs.jpcb.7b11636 ) ⭳ Bib
Uses TRAVIS for
SDF
.
104 R. Biswas, P. Ghosh, T. Banerjee, S. M. Ali, A. K. S. Deb:
"Interfacial Behavior of Cs+, K+, Na+, and Rb+ Extraction in the Presence of Dibenzo-18-crown-6 from the Nitrobenzene–Water Biphasic System: Experimental, Quantum Chemical, and Molecular Dynamic Studies"
ACS Omega 2018, 3 (2), 1663–1674.     (DOI 10.1021/acsomega.7b01828 ) ⭳ Bib
Uses TRAVIS for
SDF
.
103 B. Doherty, X. Zhong, O. Acevedo:
"Virtual Site OPLS Force Field for Imidazolium-Based Ionic Liquids"
J. Phys. Chem. B 2018, 122 (11), 2962–2974.     (DOI 10.1021/acs.jpcb.7b11996 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
102 S. Borah, P. P. Kumar:
"First-Principle Molecular Dynamics Investigation of Waterborne As-V Species"
J. Phys. Chem. B 2018, 122 (12), 3153–3162.     (DOI 10.1021/acs.jpcb.7b12482 ) ⭳ Bib
Uses TRAVIS for
SDF
.
101 P. K. Naik, M. Mohan, T. Banerjee, S. Paul, V. V. Goud:
"Molecular Dynamic Simulations for the Extraction of Quinoline from Heptane in the Presence of a Low-cost Phosphonium-Based Deep Eutectic Solvent"
J. Phys. Chem. B 2018, 122 (14), 4006–4015.     (DOI 10.1021/acs.jpcb.7b10914 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
100 V. Agieienko, C. Hölzl, D. Horinek, R. Buchner:
"The Interplay of Methyl-Group Distribution and Hydration Pattern of Isomeric Amphiphilic Osmolytes"
J. Phys. Chem. B 2018, 122 (22), 5972–5983.     (DOI 10.1021/acs.jpcb.8b01699 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
.
99 A. T. Nasrabadi, L. D. Gelb:
"How Proton Transfer Equilibria Influence Ionic Liquid Properties: Molecular Simulations of Alkylammonium Acetates"
J. Phys. Chem. B 2018, 122 (22), 5961–5971.     (DOI 10.1021/acs.jpcb.8b01631 ) ⭳ Bib
Uses TRAVIS for
SDF
.
98 L. Lodeiro, R. Contreras, R. Ormazábal-Toledo:
"How Meaningful Is the Halogen Bonding in 1-Ethyl-3-methyl Imidazolium-Based Ionic Liquids for CO2 Capture?"
J. Phys. Chem. B 2018, 122 (32), 7907–7914.     (DOI 10.1021/acs.jpcb.8b04990 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
97 U. Kapoor, J. K. Shah:
"Molecular Origins of the Apparent Ideal CO2 Solubilities in Binary Ionic Liquid Mixtures"
J. Phys. Chem. B 2018, 122 (42), 9763–9774.     (DOI 10.1021/acs.jpcb.8b08223 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
.
96 S. Dasari, B. S. Mallik:
"Nondiffusive Rotational Jump Dynamics in Ethyl Ammonium Nitrate"
J. Phys. Chem. B 2018, 122 (42), 9738–9746.     (DOI 10.1021/acs.jpcb.8b06372 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF, SFac.
95 B. Doherty, O. Acevedo:
"OPLS Force Field for Choline Chloride-Based Deep Eutectic Solvents"
J. Phys. Chem. B 2018, 122 (43), 9982–9993.     (DOI 10.1021/acs.jpcb.8b06647 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
94 G. Kumar, T. R. Kartha, B. S. Mallik:
"Novelty of Lithium Salt Solution in Sulfone and Dimethyl Carbonate-Based Electrolytes for Lithium-Ion Batteries: A Classical Molecular Dynamics Simulation Study of Optimal Ion Diffusion"
J. Phys. Chem. C 2018, 122 (46), 26315–26325.     (DOI 10.1021/acs.jpcc.8b06581 ) ⭳ Bib
Uses TRAVIS for
SDF
.
93 P. Kumari, Shobhna, S. Kaur, H. K. Kashyap:
"Influence of Hydration on the Structure of Reline Deep Eutectic Solvent: A Molecular Dynamics Study"
ACS Omega 2018, 3 (11), 15246–15255.     (DOI 10.1021/acsomega.8b02447 ) ⭳ Bib
Uses TRAVIS for
SDF
.
92 R. Verma, M. Mohan, V. V. Goud, T. Banerjee:
"Operational Strategies and Comprehensive Evaluation of Menthol Based Deep Eutectic Solvent for the Extraction of Lower Alcohols from Aqueous Media"
ACS Sustainable Chem. Eng. 2018, 6 (12), 16920–16932.     (DOI 10.1021/acssuschemeng.8b04255 ) ⭳ Bib
Uses TRAVIS for
SDF
.

— 2017 —

91 S. I. Lall-Ramnarine, M. Zhao, C. Rodriguez, R. Fernandez, N. Zmich, E. D. Fernandez, S. B. Dhiman, E. W. Castner, J. F. Wishart:
"Connecting Structural and Transport Properties of Ionic Liquids with Cationic Oligoether Chains"
J. Electrochem. Soc. 2017, 164 (8), H5247–H5262.     (DOI 10.1149/2.0371708jes ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, SFac.
90 P. G. Takis, K. D. Papavasileiou, L. D. Peristeras, G. C. Boulougouris, V. S. Melissas, A. N. Troganis:
"Unscrambling Micro-solvation of –COOH and –NH Groups in Neat Dimethyl Sulfoxide: Insights from 1 H-NMR Spectroscopy and Computational Studies"
Phys. Chem. Chem. Phys. 2017, 19 (21), 13710–13722.     (DOI 10.1039/C7CP01592E ) ⭳ Bib
Uses TRAVIS for
SDF
.
89 S. Biswas, B. S. Mallik:
"Time-Dependent Vibrational Spectral Analysis of First Principles Trajectory of Methylamine with Wavelet Transform"
Phys. Chem. Chem. Phys. 2017, 19 (15), 9912–9922.     (DOI 10.1039/C7CP00412E ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
88 T. D. N. Reddy, B. S. Mallik:
"Protic Ammonium Carboxylate Ionic Liquids: Insight into Structure, Dynamics and Thermophysical Properties by Alkyl Group Functionalization"
Phys. Chem. Chem. Phys. 2017, 19 (16), 10358–10370.     (DOI 10.1039/C6CP08884H ) ⭳ Bib
Uses TRAVIS for
SDF
.
87 S. Zahn:
"Deep Eutectic Solvents: Similia Similibus Solvuntur?"
Phys. Chem. Chem. Phys. 2017, 19 (5), 4041–4047.     (DOI 10.1039/C6CP08017K ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, Aggr.
86 V. Agieienko, D. Horinek, R. Buchner:
"Hydration and Self-Aggregation of a Neutral Cosolute from Dielectric Relaxation Spectroscopy and MD Simulations: The Case of 1,3-Dimethylurea"
Phys. Chem. Chem. Phys. 2017, 19 (1), 219–230.     (DOI 10.1039/C6CP07407C ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, Aggr.
85 U. Salma, M. Usula, R. Caminiti, L. Gontrani, N. V. Plechkova, K. R. Seddon:
"X-Ray and Molecular Dynamics Studies of Butylammonium Butanoate–Water Binary Mixtures"
Phys. Chem. Chem. Phys. 2017, 19 (3), 1975–1981.     (DOI 10.1039/C6CP06860J ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
84 A. Giełdoń, M. Bobrowski, A. Bielicka-Giełdoń, C. Czaplewski:
"Theoretical Calculation of the Physico-Chemical Properties of 1-Butyl-4-methylpyridinium Based Ionic Liquids"
J. Mol. Liq. 2017, 225, 467–474.     (DOI 10.1016/j.molliq.2016.11.087 ) ⭳ Bib
Uses TRAVIS for
SDF
.
83 A. Mariani, M. Campetella, C. Fasolato, M. Daniele, F. Capitani, L. Bencivenni, P. Postorino, S. Lupi, R. Caminiti, L. Gontrani:
"A Joint Experimental and Computational Study on Ethylammonium Nitrate-Ethylene Glycol 1:1 Mixture. Structural, Kinetic, Dynamic and Spectroscopic Properties"
J. Mol. Liq. 2017, 226, 2–8.     (DOI 10.1016/j.molliq.2016.08.043 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, Aggr.
82 S. Biswas, B. S. Mallik:
"Ultrafast Vibrational Spectroscopy of Aqueous Solution of Methylamine from First Principles MD Simulations"
ChemistrySelect 2017, 2 (1), 74–83.     (DOI 10.1002/slct.201601391 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
81 A. G. Reveco-Chilla, L. M. Valenzuela, J. M. del Valle, E. J. Maginn:
"Use of Molecular Dynamics Simulations to Estimate the Solubility of Menadione in Supercritical CO2 Using Chrastil's Model"
Fluid Phase Equilib. 2017, 433, 112–118.     (DOI 10.1016/j.fluid.2016.10.017 ) ⭳ Bib
Uses TRAVIS for
SDF
.
80 T. C. Lourenço, S. Aparicio, G. C. Costa, L. T. Costa:
"Local Environment Structure and Dynamics of CO2 in the 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide and Related Ionic Liquids"
J. Chem. Phys. 2017, 146 (10), 104502.     (DOI 10.1063/1.4977786 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
79 M. Macchiagodena, G. Mancini, M. Pagliai, G. D. Frate, V. Barone:
"Fine-Tuning of Atomic Point Charges: Classical Simulations of Pyridine in Different Environments"
Chem. Phys. Lett. 2017, 677, 120–126.     (DOI 10.1016/j.cplett.2017.04.004 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
78 M. H. Ghatee, M. Bahrami:
"Emergence of Innovative Properties by Replacement of Nitrogen Atom with Phosphorus Atom in Quaternary Ammonium Ionic Liquids: Insights from ab initio Calculations and MD Simulations"
Chem. Phys. 2017, 490, 92–105.     (DOI 10.1016/j.chemphys.2017.04.005 ) ⭳ Bib
Uses TRAVIS for
SDF
.
77 Z. Pouramini, A. Mohebbi, M. H. Kowsari:
"Atomistic Insights into the Thermodynamics, Structure, and Dynamics of Ionic Liquid 1-Hexyl-3-methylimidazolium Hexafluorophosphate via Molecular Dynamics Study"
J. Mol. Liq. 2017, 246, 39–47.     (DOI 10.1016/j.molliq.2017.09.043 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
.
76 J. Noroozi, A. S. Paluch:
"Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation Study"
J. Phys. Chem. B 2017, 121 (7), 1660–1674.     (DOI 10.1021/acs.jpcb.6b12390 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
, CDF.
75 A. T. Nasrabadi, L. D. Gelb:
"Structural and Transport Properties of Tertiary Ammonium Triflate Ionic Liquids: A Molecular Dynamics Study"
J. Phys. Chem. B 2017, 121 (8), 1908–1921.     (DOI 10.1021/acs.jpcb.6b12418 ) ⭳ Bib
Uses TRAVIS for
SDF
.
74 E. Sedghamiz, M. Moosavi:
"Tricationic Ionic Liquids: Structural and Dynamical Properties via Molecular Dynamics Simulations"
J. Phys. Chem. B 2017, 121 (8), 1877–1892.     (DOI 10.1021/acs.jpcb.6b10766 ) ⭳ Bib
Uses TRAVIS for
SDF
.
73 A. Mariani, R. Caminiti, F. Ramondo, G. Salvitti, F. Mocci, L. Gontrani:
"Inhomogeneity in Ethylammonium Nitrate–Acetonitrile Binary Mixtures: The Highest “low Q Excess” Reported to Date"
J. Phys. Chem. Lett. 2017, 8 (15), 3512–3522.     (DOI 10.1021/acs.jpclett.7b01244 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
72 H. Khakan, S. Yeganegi:
"Molecular Dynamics Simulations of Amide Functionalized Imidazolium Bis(trifluoromethanesulfonyl)imide Dicationic Ionic Liquids"
J. Phys. Chem. B 2017, 121 (31), 7455–7463.     (DOI 10.1021/acs.jpcb.7b03917 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, MSD.
71 M. Torkzadeh, M. Moosavi:
"Nanoscopic Study on Aliphatic Choline-Based Naphthenic Acid Ionic Liquids: Structural and Dynamical Properties"
J. Phys. Chem. B 2017, 121 (33), 7946–7962.     (DOI 10.1021/acs.jpcb.7b05008 ) ⭳ Bib
Uses TRAVIS for
SDF
.
70 S. Yadav, A. Choudhary, A. Chandra:
"A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution"
J. Phys. Chem. B 2017, 121 (38), 9032–9044.     (DOI 10.1021/acs.jpcb.7b06809 ) ⭳ Bib
Uses TRAVIS for
SDF
.
69 L. F. O. Faria, V. H. Paschoal, T. A. Lima, F. F. Ferreira, R. S. Freitas, M. C. C. Ribeiro:
"Local Order–Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid"
J. Phys. Chem. B 2017, 121 (42), 9902–9909.     (DOI 10.1021/acs.jpcb.7b08829 ) ⭳ Bib
Uses TRAVIS for
SDF
.
68 D. N. R. Thummuru, B. S. Mallik:
"Structure and Dynamics of Hydroxyl-Functionalized Protic Ammonium Carboxylate Ionic Liquids"
J. Phys. Chem. A 2017, 121 (42), 8097–8107.     (DOI 10.1021/acs.jpca.7b05995 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
67 B. Doherty, X. Zhong, S. Gathiaka, B. Li, O. Acevedo:
"Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations"
J. Chem. Theory Comput. 2017, 13 (12), 6131–6145.     (DOI 10.1021/acs.jctc.7b00520 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, MSD.
66 R. Elfgen, O. Hollóczki, B. Kirchner:
"A Molecular Level Understanding of Template Effects in Ionic Liquids"
Acc. Chem. Res. 2017, 50 (12), 2949–2957.     (DOI 10.1021/acs.accounts.7b00436 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF, Domain.

— 2016 —

65 P. Prakash, A. Venkatnathan:
"Molecular Mechanism of CO2 Absorption in Phosphonium Amino Acid Ionic Liquid"
RSC Adv. 2016, 6 (60), 55438–55443.     (DOI 10.1039/C6RA09577A ) ⭳ Bib
Uses TRAVIS for
SDF
.
64 O. Russina, S. D. Santis, L. Gontrani:
"Micro- and Mesoscopic Structural Features of a Bio-Based Choline-Amino Acid Ionic Liquid"
RSC Adv. 2016, 6 (41), 34737–34743.     (DOI 10.1039/C6RA02142E ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
63 S. Satpathi, M. Kulkarni, A. Mukherjee, P. Hazra:
"Ionic Liquid Induced G-Quadruplex Formation and Stabilization: Spectroscopic and Simulation Studies"
Phys. Chem. Chem. Phys. 2016, 18 (43), 29740–29746.     (DOI 10.1039/C6CP05732B ) ⭳ Bib
Uses TRAVIS for
SDF
.
62 S. Borah, P. P. Kumar:
"Ab initio Molecular Dynamics Study of Se(IV) Species in Aqueous Environment"
Phys. Chem. Chem. Phys. 2016, 18 (38), 26755–26763.     (DOI 10.1039/C6CP04725D ) ⭳ Bib
Uses TRAVIS for
SDF
, Power.
61 M. Macchiagodena, G. Mancini, M. Pagliai, V. Barone:
"Accurate Prediction of Bulk Properties in Hydrogen Bonded Liquids: Amides as Case Studies"
Phys. Chem. Chem. Phys. 2016, 18 (36), 25342–25354.     (DOI 10.1039/C6CP04666E ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
60 B. Docampo-Álvarez, V. Gómez-González, T. Méndez-Morales, J. R. Rodríguez, E. López-Lago, O. Cabeza, L. J. Gallego, L. M. Varela:
"Molecular Dynamics Simulations of Mixtures of Protic and Aprotic Ionic Liquids"
Phys. Chem. Chem. Phys. 2016, 18 (34), 23932–23943.     (DOI 10.1039/C6CP03700C ) ⭳ Bib
Uses TRAVIS for
SDF
.
59 H. M. Stowe, E. Paek, G. S. Hwang:
"First-Principles Assessment of CO2 Capture Mechanisms in Aqueous Piperazine Solution"
Phys. Chem. Chem. Phys. 2016, 18 (36), 25296–25307.     (DOI 10.1039/C6CP03584A ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
58 M. L. S. Batista, H. Passos, B. J. M. Henriques, E. J. Maginn, S. P. Pinho, M. G. Freire, J. R. B. Gomes, J. A. P. Coutinho:
"Why Are Some Cyano-Based Ionic Liquids Better Glucose Solvents Than Water?"
Phys. Chem. Chem. Phys. 2016, 18 (28), 18958–18970.     (DOI 10.1039/C6CP02538B ) ⭳ Bib
Uses TRAVIS for
SDF
.
57 F. Lo Celso, B. Aoun, A. Triolo, O. Russina:
"Liquid Structure of Dibutyl Sulfoxide"
Phys. Chem. Chem. Phys. 2016, 18 (23), 15980–15987.     (DOI 10.1039/C6CP02335E ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, SFac, MSD, RDyn.
56 S. Borah, P. P. Kumar:
"Ab initio Molecular Dynamics Investigation of Structural, Dynamic and Spectroscopic Aspects of Se(VI) Species in the Aqueous Environment"
Phys. Chem. Chem. Phys. 2016, 18 (21), 14561–14568.     (DOI 10.1039/C6CP01835A ) ⭳ Bib
Uses TRAVIS for
SDF
.
55 A. Mariani, R. Caminiti, M. Campetella, L. Gontrani:
"Pressure-Induced Mesoscopic Disorder in Protic Ionic Liquids: First Computational Study"
Phys. Chem. Chem. Phys. 2016, 18 (4), 2297–2302.     (DOI 10.1039/C5CP06800B ) ⭳ Bib
Uses TRAVIS for
SDF
, Domain.
54 O. Hollóczki:
"Unveiling the Peculiar Hydrogen Bonding Behavior of Solvated N-Heterocyclic Carbenes"
Phys. Chem. Chem. Phys. 2016, 18 (1), 126–140.     (DOI 10.1039/C5CP05369B ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, Aggr.
53 R. V. Vaz, J. R. B. Gomes, C. M. Silva:
"Molecular Dynamics Simulation of Diffusion Coefficients and Structural Properties of Ketones in Supercritical CO2 at Infinite Dilution"
J. Supercrit. Fluids 2016, 107, 630–638.     (DOI 10.1016/j.supflu.2015.07.025 ) ⭳ Bib
Uses TRAVIS for
SDF
.
52 R. T. Ley, A. S. Paluch:
"Understanding the Large Solubility of Lidocaine in 1-n-Butyl-3-methylimidazolium Based Ionic Liquids Using Molecular Simulation"
J. Chem. Phys. 2016, 144 (8), 84501.     (DOI 10.1063/1.4942025 ) ⭳ Bib
Uses TRAVIS for
SDF
.
51 T. A. Lima, V. H. Paschoal, L. F. O. Faria, M. C. C. Ribeiro, C. Giles:
"Comparing Two Tetraalkylammonium Ionic Liquids. I. Liquid Phase Structure"
J. Chem. Phys. 2016, 144 (22), 224504.     (DOI 10.1063/1.4953414 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
50 O. V. Oliveira, A. S. Paluch, L. T. Costa:
"A Molecular Understanding of the Phase-Behavior of Thiophene in the Ionic Liquid [C4MIm]+[BF4]− for Extraction from Petroleum Streams"
Fuel 2016, 175, 225–231.     (DOI 10.1016/j.fuel.2016.02.016 ) ⭳ Bib
Uses TRAVIS for
SDF
.
49 K. B. Dhungana, L. F. O. Faria, B. Wu, M. Liang, M. C. C. Ribeiro, C. J. Margulis, E. W. Castner:
"Structure of Cyano-Anion Ionic Liquids: X-Ray Scattering and Simulations"
J. Chem. Phys. 2016, 145 (2), 24503.     (DOI 10.1063/1.4955186 ) ⭳ Bib
Uses TRAVIS for
SDF
.
48 A. R. Zolghadr, M. H. Ghatee, F. Moosavi:
"The Effect of Various Quantum Mechanically Derived Partial Atomic Charges on the Bulk Properties of Chloride-Based Ionic Liquids"
Chem. Phys. 2016, 475, 23–31.     (DOI 10.1016/j.chemphys.2016.05.022 ) ⭳ Bib
Uses TRAVIS for
SDF
.
47 B. Wu, H. Shirota, S. I. Lall-Ramnarine, E. W. Castner:
"Structure of Ionic Liquids with Cationic Silicon-Substitutions"
J. Chem. Phys. 2016, 145 (11), 114501.     (DOI 10.1063/1.4962257 ) ⭳ Bib
Uses TRAVIS for
SDF
.
46 D. S. Firaha, M. Thomas, O. Hollóczki, M. Korth, B. Kirchner:
"Can Dispersion Corrections Annihilate the Dispersion-Driven Nano-Aggregation of Non-Polar Groups? An ab initio Molecular Dynamics Study of Ionic Liquid Systems"
J. Chem. Phys. 2016, 145 (20), 204502.     (DOI 10.1063/1.4967861 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, MSD, Domain, Spec.
45 J. Brugger, W. Liu, B. Etschmann, Y. Mei, D. M. Sherman, D. Testemale:
"A Review of the Coordination Chemistry of Hydrothermal Systems, or do Coordination Changes Make Ore Deposits?"
Chem. Geol. 2016, 447, 219–253.     (DOI 10.1016/j.chemgeo.2016.10.021 ) ⭳ Bib
Uses TRAVIS for
SDF
.
44 B. Wu, Y. Yamashita, T. Endo, K. Takahashi, E. W. Castner:
"Structure and Dynamics of Ionic Liquids: Trimethylsilylpropyl-Substituted Cations and Bis(sulfonyl)amide Anions"
J. Chem. Phys. 2016, 145 (24), 244506.     (DOI 10.1063/1.4972410 ) ⭳ Bib
Uses TRAVIS for
SDF
.
43 A. S. Paluch, T. C. Lourenço, F. Han, L. T. Costa:
"Understanding the Solubility of Acetaminophen in 1-n-Alkyl-3-methylimidazolium-Based Ionic Liquids Using Molecular Simulation"
J. Phys. Chem. B 2016, 120 (13), 3360–3369.     (DOI 10.1021/acs.jpcb.5b11648 ) ⭳ Bib
Uses TRAVIS for
SDF
.
42 M. H. Kowsari, L. Tohidifar:
"Tracing Dynamics, Self-Diffusion, and Nanoscale Structural Heterogeneity of Pure and Binary Mixtures of Ionic Liquid 1-Hexyl-2,3-dimethylimidazolium Bis(fluorosulfonyl)imide with Acetonitrile: Insights from Molecular Dynamics Simulations"
J. Phys. Chem. B 2016, 120 (41), 10824–10838.     (DOI 10.1021/acs.jpcb.6b08396 ) ⭳ Bib
Uses TRAVIS for
SDF
.
41 M. Fakhraee, M. R. Gholami:
"Effect of Anion and Alkyl Side Chain on Structural and Dynamic Features of Ester Functionalized Ionic Liquids: Confirming Nanoscale Organization"
J. Phys. Chem. B 2016, 120 (44), 11539–11555.     (DOI 10.1021/acs.jpcb.6b08874 ) ⭳ Bib
Uses TRAVIS for
SDF
.
40 Q. R. Sheridan, S. Oh, O. Morales-Collazo, E. W. Castner, J. F. Brennecke, E. J. Maginn:
"Liquid Structure of CO2–Reactive Aprotic Heterocyclic Anion Ionic Liquids from X-Ray Scattering and Molecular Dynamics"
J. Phys. Chem. B 2016, 120 (46), 11951–11960.     (DOI 10.1021/acs.jpcb.6b07713 ) ⭳ Bib
Uses TRAVIS for
SDF
.
39 U. Kapoor, J. K. Shah:
"Preferential Ionic Interactions and Microscopic Structural Changes Drive Nonideality in Binary Ionic Liquid Mixtures as Revealed from Molecular Simulations"
Ind. Eng. Chem. Res. 2016, 55 (51), 13132–13146.     (DOI 10.1021/acs.iecr.6b03314 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, Aggr, MSD.

— 2015 —

38 H. M. Stowe, L. Vilčiauskas, E. Paek, G. S. Hwang:
"On the Origin of Preferred Bicarbonate Production from Carbon Dioxide (CO2) Capture in Aqueous 2-Amino-2-methyl-1-propanol (AMP)"
Phys. Chem. Chem. Phys. 2015, 17 (43), 29184–29192.     (DOI 10.1039/C5CP04876A ) ⭳ Bib
Uses TRAVIS for
SDF
.
37 V. L. Martins, N. Sanchez-Ramirez, M. C. C. Ribeiro, R. M. Torresi:
"Two Phosphonium Ionic Liquids with High Li+ Transport Number"
Phys. Chem. Chem. Phys. 2015, 17 (35), 23041–23051.     (DOI 10.1039/C5CP02799C ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
36 M. H. Ghatee, S. Namvar, A. R. Zolghadr, F. Moosavi:
"Why Is the Electroanalytical Performance of Carbon Paste Electrodes Involving an Ionic Liquid Binder Higher Than Paraffinic Binders? A Simulation Investigation"
Phys. Chem. Chem. Phys. 2015, 17 (38), 24722–24731.     (DOI 10.1039/C5CP02683K ) ⭳ Bib
Uses TRAVIS for
SDF
.
35 V. Migliorati, A. Serva, G. Aquilanti, S. Pascarelli, P. D'Angelo:
"Local Order and Long Range Correlations in Imidazolium Halide Ionic Liquids: A Combined Molecular Dynamics and XAS Study"
Phys. Chem. Chem. Phys. 2015, 17 (25), 16443–16453.     (DOI 10.1039/C5CP01613D ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF.
34 L. K. Scarbath-Evers, P. A. Hunt, B. Kirchner, D. R. MacFarlane, S. Zahn:
"Molecular Features Contributing to the Lower Viscosity of Phosphonium Ionic Liquids Compared to Their Ammonium Analogues"
Phys. Chem. Chem. Phys. 2015, 17 (31), 20205–20216.     (DOI 10.1039/C5CP00340G ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
33 A. Vahid, E. J. Maginn:
"Monte Carlo Simulation and Saft Modeling Study of the Solvation Thermodynamics of Dimethylformamide, Dimethylsulfoxide, Ethanol and 1-Propanol in the Ionic Liquid Trimethylbutylammonium Bis(trifluoromethylsulfonyl)imide"
Phys. Chem. Chem. Phys. 2015, 17 (11), 7449–7462.     (DOI 10.1039/C4CP05961A ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
32 V. Migliorati, A. Serva, G. Aquilanti, L. Olivi, S. Pascarelli, O. Mathon, P. D'Angelo:
"Combining EXAFS Spectroscopy and Molecular Dynamics Simulations to Understand the Structural and Dynamic Properties of an Imidazolium Iodide Ionic Liquid"
Phys. Chem. Chem. Phys. 2015, 17 (4), 2464–2474.     (DOI 10.1039/C4CP04406A ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, SFac, Aggr.
31 M. C. Corvo, J. Sardinha, T. Casimiro, G. Marin, M. Seferin, S. Einloft, S. C. Menezes, J. Dupont, E. J. Cabrita:
"A Rational Approach to CO2 Capture by Imidazolium Ionic Liquids: Tuning CO2 Solubility by Cation Alkyl Branching"
ChemSusChem 2015, 8 (11), 1935–1946.     (DOI 10.1002/cssc.201500104 ) ⭳ Bib
Uses TRAVIS for
SDF
.
30 M. Campetella, E. Bodo, R. Caminiti, A. Martino, F. D’Apuzzo, S. Lupi, L. Gontrani:
"Interaction and Dynamics of Ionic Liquids Based on Choline and Amino Acid Anions"
J. Chem. Phys. 2015, 142 (23), 234502.     (DOI 10.1063/1.4922442 ) ⭳ Bib
Uses TRAVIS for
SDF
, Spec.
29 L. Tanzi, F. Ramondo, R. Caminiti, M. Campetella, A. D. Luca, L. Gontrani:
"Structural Studies on Choline-Carboxylate Bio-Ionic Liquids by X-Ray Scattering and Molecular Dynamics"
J. Chem. Phys. 2015, 143 (11), 114506.     (DOI 10.1063/1.4931031 ) ⭳ Bib
Uses TRAVIS for
SDF
.
28 A. Mariani, O. Russina, R. Caminiti, A. Triolo:
"Structural Organization in a Methanol:Ethylammonium Nitrate (1:4) Mixture: A Joint X-Ray/Neutron Diffraction and Computational Study"
J. Mol. Liq. 2015, 212, 947–956.     (DOI 10.1016/j.molliq.2015.10.054 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, SFac.
27 M. L. S. Batista, K. A. Kurnia, S. P. Pinho, J. R. B. Gomes, J. A. P. Coutinho:
"Computational and Experimental Study of the Behavior of Cyano-Based Ionic Liquids in Aqueous Solution"
J. Phys. Chem. B 2015, 119 (4), 1567–1578.     (DOI 10.1021/jp510125x ) ⭳ Bib
Uses TRAVIS for
SDF
.
26 G. Bekçioğlu, C. Allolio, D. Sebastiani:
"Water Wires in Aqueous Solutions from First-Principles Calculations"
J. Phys. Chem. B 2015, 119 (10), 4053–4060.     (DOI 10.1021/jp5121417 ) ⭳ Bib
Uses TRAVIS for
SDF
.
25 I. Khan, M. L. S. Batista, P. J. Carvalho, L. M. N. B. F. Santos, J. R. B. Gomes, J. A. P. Coutinho:
"Vapor–Liquid Equilibria of Imidazolium Ionic Liquids with Cyano Containing Anions with Water and Ethanol"
J. Phys. Chem. B 2015, 119 (32), 10287–10303.     (DOI 10.1021/acs.jpcb.5b03324 ) ⭳ Bib
Uses TRAVIS for
SDF
.
24 E. Bodo:
"Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of their Coordination Shell"
J. Phys. Chem. B 2015, 119 (35), 11833–11838.     (DOI 10.1021/acs.jpcb.5b06387 ) ⭳ Bib
Uses TRAVIS for RDF, NI,
SDF
.
23 P. D'Angelo, A. Serva, G. Aquilanti, S. Pascarelli, V. Migliorati:
"Structural Properties and Aggregation Behavior of 1-Hexyl-3-methylimidazolium Iodide in Aqueous Solutions"
J. Phys. Chem. B 2015, 119 (45), 14515–14526.     (DOI 10.1021/acs.jpcb.5b08739 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, SFac.
22 K. R. Ramya, P. Kumar, A. Venkatnathan:
"Molecular Simulations of Anion and Temperature Dependence on Structure and Dynamics of 1-Hexyl-3-methylimidazolium Ionic Liquids"
J. Phys. Chem. B 2015, 119 (46), 14800–14806.     (DOI 10.1021/acs.jpcb.5b09456 ) ⭳ Bib
Uses TRAVIS for
SDF
.
21 M. L. S. Batista, G. Pérez-Sánchez, J. R. B. Gomes, J. A. P. Coutinho, E. J. Maginn:
"Evaluation of the GROMOS 56aCARBO Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems"
J. Phys. Chem. B 2015, 119 (49), 15310–15319.     (DOI 10.1021/acs.jpcb.5b08155 ) ⭳ Bib
Uses TRAVIS for
SDF
.

— 2014 —

20 R. P. Matthews, T. Welton, P. A. Hunt:
"Competitive Pi Interactions and Hydrogen Bonding within Imidazolium Ionic Liquids"
Phys. Chem. Chem. Phys. 2014, 16 (7), 3238.     (DOI 10.1039/c3cp54672a ) ⭳ Bib
Uses TRAVIS for
SDF
.
19 S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S. B. C. Lehmann, F. Malberg, A. S. Pensado, M. Schöppke, H. Weber, B. Kirchner:
"Understanding Ionic Liquids from Theoretical Methods"
J. Mol. Liq. 2014, 192, 71–76.     (DOI 10.1016/j.molliq.2013.08.015 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
18 H. Wu, E. J. Maginn:
"Water Solubility and Dynamics of CO2 Capture Ionic Liquids Having Aprotic Heterocyclic Anions"
Fluid Phase Equilib. 2014, 368, 72–79.     (DOI 10.1016/j.fluid.2014.02.003 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
17 G. Raabe:
"Molecular Dynamics Studies on Liquid-Phase Dynamics and Structures of Four Different Fluoropropenes and Their Binary Mixtures with R-32 and CO2"
J. Phys. Chem. B 2014, 118 (1), 240–254.     (DOI 10.1021/jp409408k ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
.
16 N. Sanchez-Ramirez, V. L. Martins, R. A. Ando, F. F. Camilo, S. M. Urahata, M. C. C. Ribeiro, R. M. Torresi:
"Physicochemical Properties of Three Ionic Liquids Containing a Tetracyanoborate Anion and Their Lithium Salt Mixtures"
J. Phys. Chem. B 2014, 118 (29), 8772–8781.     (DOI 10.1021/jp505051v ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
15 E. Duque-Redondo, H. Manzano, N. Epelde-Elezcano, V. Martínez-Martínez, I. López-Arbeloa:
"Molecular Forces Governing Shear and Tensile Failure in Clay-Dye Hybrid Materials"
Chem. Mater. 2014, 26 (15), 4338–4345.     (DOI 10.1021/cm500661d ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF.
14 M. H. Kowsari, M. Fakhraee, S. Alavi, B. Najafi:
"Molecular Dynamics and ab initio Studies of the Effects of Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-based [Tf2N–] Ionic Liquids"
J. Chem. Eng. Data 2014, 59 (9), 2834–2849.     (DOI 10.1021/je5004675 ) ⭳ Bib
Uses TRAVIS for
SDF
.
13 M. Fakhraee, B. Zandkarimi, H. Salari, M. R. Gholami:
"Hydroxyl-Functionalized 1-(2-Hydroxyethyl)-3-methyl Imidazolium Ionic Liquids: Thermodynamic and Structural Properties Using Molecular Dynamics Simulations and ab initio Calculations"
J. Phys. Chem. B 2014, 118 (49), 14410–14428.     (DOI 10.1021/jp5083714 ) ⭳ Bib
Uses TRAVIS for
SDF
.
12 L. Tanzi, P. Benassi, M. Nardone, F. Ramondo:
"Vibrations of Bioionic Liquids by ab initio Molecular Dynamics and Vibrational Spectroscopy"
J. Phys. Chem. A 2014, 118 (51), 12229–12240.     (DOI 10.1021/jp5079949 ) ⭳ Bib
Uses TRAVIS for
SDF
.

— 2013 —

11 F. Malberg, M. Brehm, O. Hollóczki, A. S. Pensado, B. Kirchner:
"Understanding the Evaporation of Ionic Liquids Using the Example of 1-Ethyl-3-methylimidazolium Ethylsulfate"
Phys. Chem. Chem. Phys. 2013, 15 (42), 18424.     (DOI 10.1039/c3cp52966e ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, Aggr, Power.
10 M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner:
"Liquid Structure and Cluster Formation in Ionic Liquid/Water Mixtures – An Extensive ab initio Molecular Dynamics Study on 1-Ethyl-3-methylimidazolium Acetate/Water Mixtures – Part 2"
Z. Phys. Chem. 2013, 227 (2-3), 177–204.     (DOI 10.1524/zpch.2012.0327 ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, CDF, 3D CDF.
9 E. Bodo, A. Sferrazza, R. Caminiti, S. Mangialardo, P. Postorino:
"A Prototypical Ionic Liquid Explored by ab initio Molecular Dynamics and Raman Spectroscopy"
J. Chem. Phys. 2013, 139 (14), 144309.     (DOI 10.1063/1.4823824 ) ⭳ Bib
Uses TRAVIS for
SDF
.
8 P. J. di Dio:
"Thermal Stability of Water up to Super-Critical States: Application of the Singular Value Decomposition and Grund Functions"
J. Mol. Liq. 2013, 187, 206–217.     (DOI 10.1016/j.molliq.2013.07.013 ) ⭳ Bib
Uses TRAVIS for
SDF
.
7 O. Hollóczki, D. S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner:
"Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?"
J. Phys. Chem. B 2013, 117 (19), 5898–5907.     (DOI 10.1021/jp4004399 ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF, Voro.
6 V. Migliorati, A. Zitolo, P. D'Angelo:
"Using a Combined Theoretical and Experimental Approach to Understand the Structure and Dynamics of Imidazolium-Based Ionic Liquids/Water Mixtures. 1. MD Simulations"
J. Phys. Chem. B 2013, 117 (41), 12505–12515.     (DOI 10.1021/jp4048677 ) ⭳ Bib
Uses TRAVIS for
SDF
, Aggr.

— 2012 —

5 F. Malberg, A. S. Pensado, B. Kirchner:
"The Bulk and the Gas Phase of 1-Ethyl-3-methylimidazolium Ethylsulfate: Dispersion Interaction Makes the Difference"
Phys. Chem. Chem. Phys. 2012, 14 (35), 12079.     (DOI 10.1039/c2cp41878a ) ⭳ Bib
Uses TRAVIS for
SDF
, Power.
4 M. H. Ghatee, A. R. Zolghadr, F. Moosavi, Y. Ansari:
"Studies of Structural, Dynamical, and Interfacial Properties of 1-Alkyl-3-methylimidazolium Iodide Ionic Liquids by Molecular Dynamics Simulation"
J. Chem. Phys. 2012, 136 (12), 124706.     (DOI 10.1063/1.3696004 ) ⭳ Bib
Uses TRAVIS for
SDF
.
3 S. N. Butler, F. Müller-Plathe:
"A Molecular Dynamics Study of Viscosity in Ionic Liquids Directed by Quantitative Structure-Property Relationships"
ChemPhysChem 2012, 13 (7), 1791–1801.     (DOI 10.1002/cphc.201200039 ) ⭳ Bib
Uses TRAVIS for
SDF
.

— 2011 —

2 M. Kohagen, M. Brehm, Y. Lingscheid, R. Giernoth, J. Sangoro, F. Kremer, S. Naumov, C. Iacob, J. Kärger, R. Valiullin, B. Kirchner:
"How Hydrogen Bonds Influence the Mobility of Imidazolium-Based Ionic Liquids. A Combined Theoretical and Experimental Study of 1-n-Butyl-3-methylimidazolium Bromide"
J. Phys. Chem. B 2011, 115 (51), 15280–15288.     (DOI 10.1021/jp206974h ) ⭳ Bib
Uses TRAVIS for
SDF
, CDF, Aggr.
1 M. Kohagen, M. Brehm, J. Thar, W. Zhao, F. Müller-Plathe, B. Kirchner:
"Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide"
J. Phys. Chem. B 2011, 115 (4), 693–702.     (DOI 10.1021/jp109612k ) ⭳ Bib
Uses TRAVIS for RDF,
SDF
, Aggr, RDyn.


— Author List —

Go to Article List, go to Journal List.

473 different authors contributed to the 200 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
17(show)Mallik, B. S.
13(show)Kirchner, B.
10(show)Gontrani, L.
9(show)Paul, S.
8(show)Brehm, M.
8(show)Caminiti, R.
8(show)Russina, O.
7(show)Aparicio, S.
7(show)Maginn, E. J.
7(show)Ribeiro, M. C. C.
7(show)Triolo, A.
6(show)Castner, E. W.
6(show)Coutinho, J. A. P.
6(show)Gomes, J. R. B.
6(show)Hollóczki, O.
6(show)Lo Celso, F.
5(show)D'Angelo, P.
5(show)Fakhraee, M.
5(show)Ghatee, M. H.
5(show)Kowsari, M. H.
5(show)Malberg, F.
5(show)Mariani, A.
5(show)Migliorati, V.
4(show)Aquilanti, G.
4(show)Atilhan, M.
4(show)Batista, M. L. S.
4(show)Biswas, S.
4(show)Campetella, M.
4(show)Gutiérrez, A.
4(show)Moosavi, M.
4(show)Paluch, A. S.
4(show)Pensado, A. S.
4(show)Reddy, T. D. N.
4(show)Serva, A.
4(show)Wu, B.
3(show)Acevedo, O.
3(show)Appetecchi, G. B.
3(show)Banerjee, T.
3(show)Biswas, A.
3(show)Bodo, E.
3(show)Borah, S.
3(show)Chandra, A.
3(show)Chattaraj, K. G.
3(show)Cordeiro, M. N. D. S.
3(show)Costa, L. T.
3(show)Doherty, B.
3(show)Faria, L. F. O.
3(show)Horinek, D.
3(show)Idrissi, A.
3(show)Kartha, T. R.
3(show)Kashyap, H. K.
3(show)Kohagen, M.
3(show)Koverga, V. A.
3(show)Kumar, P. P.
3(show)Lall-Ramnarine, S. I.
3(show)Lima, T. A.
3(show)Mancini, G.
3(show)Moosavi, F.
3(show)Nasrabadi, A. T.
3(show)Pagliai, M.
3(show)Pascarelli, S.
3(show)Pinho, S. P.
3(show)Ramondo, F.
3(show)Sebastiani, D.
3(show)Voroshylova, I. V.
3(show)Zahn, S.
3(show)Zolghadr, A. R.
2(show)Ahmadi, R.
2(show)Agieienko, V.
2(show)Alavianmehr, M. M.
2(show)Alcalde, R.
2(show)Allolio, C.
2(show)Ando, R. A.
2(show)Barone, V.
2(show)Bernardino, K.
2(show)Buchner, R.
2(show)Cabeza, O.
2(show)Cappelli, C.
2(show)Cisneros, G. A.
2(show)Docampo-Álvarez, B.
2(show)Ebrahimi, S.
2(show)Elfgen, R.
2(show)Fernandez, E. D.
2(show)Ferreira, E. S. C.
2(show)Gadžurić, S. B.
2(show)Gallego, L. J.
2(show)Gelb, L. D.
2(show)Goloviznina, K.
2(show)Gomes, M. C.
2(show)Gómez-González, V.
2(show)Goud, V. V.
2(show)Harries, D.
2(show)Hölzl, C.
2(show)Hosseini, S. M.
2(show)Hunt, P. A.
2(show)Hwang, G. S.
2(show)Jafta, C. J.
2(show)Firaha, D. S.
2(show)Gholami, M. R.
2(show)Giovannini, T.
2(show)Figueiredo, N. M.
2(show)Kalugin, O. N.
2(show)Kapoor, U.
2(show)Kaur, S.
2(show)Lourenço, T. C.
2(show)Lupi, S.
2(show)Macchiagodena, M.
2(show)Margulis, C. J.
2(show)Martins, V. L.
2(show)Méndez-Morales, T.
2(show)Miannay, F.-A.
2(show)Mohan, M.
2(show)Müller-Plathe, F.
2(show)Pádua, A. A. H.
2(show)Paek, E.
2(show)Pal, S.
2(show)Paschoal, V. H.
2(show)Passos, H.
2(show)Paul, R.
2(show)Pérez-Sánchez, G.
2(show)Postorino, P.
2(show)Rai, N.
2(show)Ray, P.
2(show)Rodríguez, J. R.
2(show)Sanchez-Ramirez, N.
2(show)Schaeffer, N.
2(show)Sedghamiz, E.
2(show)Shah, J. K.
2(show)Siqueira, L. J. A.
2(show)Smortsova, Y.
2(show)Stark, A.
2(show)Stowe, H. M.
2(show)Tanzi, L.
2(show)Tohidifar, L.
2(show)Torkzadeh, M.
2(show)Torresi, R. M.
2(show)Trenzado, J. L.
2(show)Varela, L. M.
2(show)Venkatnathan, A.
2(show)Vraneš, M. B.
2(show)Weber, H.
2(show)Wishart, J. F.
2(show)Yadav, S.
2(show)Zhao, M.
2(show)Zhong, X.
1(show)Aashish, T.
1(show)Abranches, D. O.
1(show)Abreu, C. R. A.
1(show)Agrawal, S.
1(show)Aguilar, N.
1(show)Ajduković, J.
1(show)Akhavan, O.
1(show)Alavi, S.
1(show)Ali, S. M.
1(show)Alizadeh, V.
1(show)Ambrosetti, M.
1(show)Ansari, Y.
1(show)Antonov, L.
1(show)Aoun, B.
1(show)Bae, S.-W.
1(show)Bahrami, M.
1(show)Banazadeh, N.
1(show)Bekçioğlu, G.
1(show)Bell, R. G.
1(show)Benassi, P.
1(show)Bencivenni, L.
1(show)Bešter-Rogač, M.
1(show)Bielicka-Giełdoń, A.
1(show)Biswas, R.
1(show)Bo, C.
1(show)Bobrowski, M.
1(show)Bonomo, M.
1(show)Boulougouris, G. C.
1(show)Bratko, D.
1(show)Brennecke, J. F.
1(show)Brugger, J.
1(show)Brüssel, M.
1(show)Butler, S. N.
1(show)Cabrita, E. J.
1(show)Camilo, F. F.
1(show)Capitani, F.
1(show)Cardini, G.
1(show)Cardoso, P. F.
1(show)Carvalho, P. J.
1(show)Casimiro, T.
1(show)Cassone, G.
1(show)Celebre, G.
1(show)Celia-Silva, L. G.
1(show)Chakraborty, D.
1(show)Chelli, R.
1(show)Choudhary, A.
1(show)Contreras, R.
1(show)Corvo, M. C.
1(show)Costa, G. C.
1(show)Croft, A. K.
1(show)Cybik, R.
1(show)Czaplewski, C.
1(show)Daniele, M.
1(show)Dasari, S.
1(show)de Leeuw, N. H.
1(show)Deb, A. K. S.
1(show)del Valle, J. M.
1(show)Dhungana, K. B.
1(show)di Dio, P. J.
1(show)Dilip, H. N.
1(show)Dhiman, S. B.
1(show)Duke, R. E.
1(show)Dupont, J.
1(show)Duque-Redondo, E.
1(show)D’Apuzzo, F.
1(show)Einloft, S.
1(show)El-Shaikh, M.
1(show)Endo, T.
1(show)Epelde-Elezcano, N.
1(show)Estrada, F. G. A.
1(show)Etschmann, B.
1(show)Fasolato, C.
1(show)Fehér, P. P.
1(show)Fernandez, J. S. L. C.
1(show)Fernandez, R.
1(show)Ferreira, F. F.
1(show)Fetisov, E. O.
1(show)Flores-Ruiz, H. M.
1(show)Frate, G. D.
1(show)Freire, M. G.
1(show)Freitas, R. S.
1(show)Friedrich, J.
1(show)Funghi, G.
1(show)Gallo, M.
1(show)Ganesan, V.
1(show)Gathiaka, S.
1(show)Geller, D.
1(show)Goel, H.
1(show)Gong, Z.
1(show)Grimme, S.
1(show)Guirado-López, R. A.
1(show)Gupta, A.
1(show)Gupta, R.
1(show)Han, F.
1(show)Hansen, A.
1(show)Harper, J. B.
1(show)Harwood, D. B.
1(show)Hazra, P.
1(show)Held, C.
1(show)Henriques, B. J. M.
1(show)Iacob, C.
1(show)Imoto, S.
1(show)Jackson, A. A.
1(show)Jedlovszky, P.
1(show)Fileti, E. E.
1(show)Filipe, E. J. M.
1(show)Ghosh, P.
1(show)Giełdoń, A.
1(show)Giernoth, R.
1(show)Giles, C.
1(show)Ji, P.
1(show)Higuchi, Y.
1(show)Kärger, J.
1(show)Kast, S. M.
1(show)Keaveney, S. T.
1(show)Keeble, D. S.
1(show)Keiderling, U.
1(show)Kerlé, D.
1(show)Kgagodi, O. W.
1(show)Khakan, H.
1(show)Khan, I.
1(show)Khashei, F.
1(show)Kibies, P.
1(show)Kiefer, J.
1(show)Knierbein, M.
1(show)Koo, Y.-M.
1(show)Korth, M.
1(show)Kremer, F.
1(show)Kressler, J.
1(show)Kroon, M. C.
1(show)Kruse, H.
1(show)Kubo, M.
1(show)Kulkarni, M.
1(show)Kumar, G.
1(show)Kumar, P.
1(show)Kumari, P.
1(show)Kuo, I.-F. W.
1(show)Kurnia, K. A.
1(show)Lapi, A.
1(show)Lehmann, S. B. C.
1(show)Leonelli, F.
1(show)Lepre, L. F.
1(show)Ley, R. T.
1(show)Li, B.
1(show)Liang, M.
1(show)Lingscheid, Y.
1(show)Liu, W.
1(show)Ljungdahl, A.
1(show)Lodeiro, L.
1(show)Lombardo, R.
1(show)Lopes, J. N. C.
1(show)López-Arbeloa, I.
1(show)López-Lago, E.
1(show)López-Lemus, J.
1(show)Luca, A. D.
1(show)Luca, G. D.
1(show)Lucas, E. F.
1(show)Luzar, A.
1(show)MacFarlane, D. R.
1(show)Mai, N. L.
1(show)Mangialardo, S.
1(show)Manzano, H.
1(show)Marekha, B. A.
1(show)Margola, T.
1(show)Marin, G.
1(show)Marques, J. M. C.
1(show)Martínez-Martínez, V.
1(show)Martino, A.
1(show)Martins, L. F. G.
1(show)Martins, M. A. R.
1(show)Maruyama, S.
1(show)Marx, D.
1(show)Mathon, O.
1(show)Matsumoto, Y.
1(show)Matthews, R. P.
1(show)Mbaiwa, F.
1(show)Mei, Y.
1(show)Melissas, V. S.
1(show)Melnikov, S. M.
1(show)Menezes, S. C.
1(show)Mocci, F.
1(show)Mohebbi, A.
1(show)Moradi, K.
1(show)Morales-Collazo, O.
1(show)Morgado, P.
1(show)Mukherjee, A.
1(show)Naderi, O.
1(show)Naik, P. K.
1(show)Najafi, B.
1(show)Namvar, S.
1(show)Nardone, M.
1(show)Nase, J.
1(show)Naumov, S.
1(show)Neumann, J. G.
1(show)Newcomb, K.
1(show)Noetzel, J.
1(show)Norell, J.
1(show)Noroozi, J.
1(show)Nyman, M.
1(show)Odelius, M.
1(show)Oh, S.
1(show)Ojha, D.
1(show)Olgenblum, G. I.
1(show)Oliveira, O. V.
1(show)Olivi, L.
1(show)Ootani, Y.
1(show)Ormazábal-Toledo, R.
1(show)Ottaviani, C.
1(show)Ozawa, N.
1(show)Page, A. J.
1(show)Panaget, T.
1(show)Papacostas, K. A.
1(show)Papaiconomou, N.
1(show)Papavasileiou, K. D.
1(show)Papović, S.
1(show)Parker, Q.
1(show)Passerini, S.
1(show)Paulus, M.
1(show)Pereda, S.
1(show)Pereira, C. M.
1(show)Peristeras, L. D.
1(show)Perlt, E.
1(show)Peters, C. J.
1(show)Pezeshki, M.
1(show)Pietro, M. E. D.
1(show)Plechkova, N. V.
1(show)Podlipnik, Č.
1(show)Pouramini, Z.
1(show)Prakash, P.
1(show)Prastiawan, I. B. H.
1(show)Priyadarsini, A.
1(show)Procacci, P.
1(show)Puglisi, A.
1(show)Pulst, M.
1(show)Pylaeva, S. A.
1(show)Raabe, G.
1(show)Ramdihal, J. D.
1(show)Ramya, K. R.
1(show)Rathke, B.
1(show)Reveco-Chilla, A. G.
1(show)Rocha, M. A. A.
1(show)Rodriguez, C.
1(show)Rozas, S.
1(show)Sadeghi, R.
1(show)Sadowski, G.
1(show)Saielli, G.
1(show)Salari, H.
1(show)Salma, U.
1(show)Salmen, P.
1(show)Salvitti, G.
1(show)Sampaio, A. M.
1(show)Sánchez-Badillo, J.
1(show)Sánchez, P. B.
1(show)Sangoro, J.
1(show)Santis, S. D.
1(show)Santos, L. M. N. B. F.
1(show)Sapir, L.
1(show)Sardinha, J.
1(show)Satpathi, S.
1(show)Scarbath-Evers, L. K.
1(show)Schöppke, M.
1(show)Schröer, W.
1(show)Seddon, K. R.
1(show)Seferin, M.
1(show)Segado, M.
1(show)Sessa, F.
1(show)Sferrazza, A.
1(show)Shafiei, M.
1(show)Sheridan, Q. R.
1(show)Sherman, D. M.
1(show)Shobhna,
1(show)Shokri, S.
1(show)Shumilin, I.
1(show)Siepmann, J. I.
1(show)Silva, C. M.
1(show)Silva, L. P.
1(show)Silveira, A. J.
1(show)Simonetti, E.
1(show)Shin, D. W.
1(show)Shirota, H.
1(show)Sponer, J.
1(show)Stassen, H.
1(show)Stefanovic, R.
1(show)Stein, M.
1(show)Stirling, A.
1(show)Strachan, A.
1(show)Sumner, R. A.
1(show)Sun, H.
1(show)Takahashi, K.
1(show)Takis, P. G.
1(show)Tavares, F. W.
1(show)Testemale, D.
1(show)Thar, J.
1(show)Thomas, M.
1(show)Thummuru, D. N. R.
1(show)Tiwari, S. P.
1(show)Tot, A. S.
1(show)Troganis, A. N.
1(show)Turmine, M.
1(show)Urahata, S. M.
1(show)Usula, M.
1(show)Vahid, A.
1(show)Valente, A. J. M.
1(show)Valenzuela, L. M.
1(show)Valiullin, R.
1(show)Vassetti, D.
1(show)Vaz, R. V.
1(show)Vázquez-Montelongo, E. A.
1(show)Verma, R.
1(show)Vilčiauskas, L.
1(show)Vilela, P. B.
1(show)Vishnu, K. G.
1(show)von Domaros, M.
1(show)Warrag, S. E. E.
1(show)Webber, G. B.
1(show)Welton, T.
1(show)Wild, M.
1(show)Windom, Z. W.
1(show)Wu, H.
1(show)Xu, J.
1(show)Yamashita, Y.
1(show)Yeganegi, S.
1(show)Yoshida, Y.
1(show)Zandkarimi, B.
1(show)Zec, N.
1(show)Zhao, W.
1(show)Zitolo, A.
1(show)Zmich, N.

— Journal List —

Go to Article List, go to Author List.

The 200 articles shown above were published in 48 different journals.

CitationsJournal Name
50(show)J. Phys. Chem. B
39(show)Phys. Chem. Chem. Phys.
26(show)J. Mol. Liq.
21(show)J. Chem. Phys.
5(show)RSC Adv.
3(show)ACS Omega
3(show)ChemPhysChem
3(show)Fluid Phase Equilib.
3(show)J. Chem. Eng. Data
3(show)J. Phys. Chem. C
2(show)ACS Sustainable Chem. Eng.
2(show)Chem. Phys.
2(show)Int. J. Biol. Macromol.
2(show)J. Chem. Inf. Model.
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