TRAVIS – Trajectory Analyzer and Visualizer


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

In April 2020, our new open access article on TRAVIS has been published. It describes many of the new features and algorithms which have been added to TRAVIS within the last nine years. Please have a look:

M. Brehm, M. Thomas, S. Gehrke, B. Kirchner:
“TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation”,
J. Chem. Phys. 2020, 152 (16), 164105, DOI 10.1063/5.0005078.

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

— Work Citing TRAVIS —

Only showing results in journal “J. Mol. Liq.”. Show all citations.

Go to Author List, go to Journal List.

72 citations match the query.  Show continuous list view.

— 2022 —

72 S. Gómez, F. Egidi, A. Puglisi, T. Giovannini, B. Rossi, C. Cappelli:
"Unlocking the Power of Resonance Raman Spectroscopy: The Case of Amides in Aqueous Solution"
J. Mol. Liq. 2022, 346, 117841.     (DOI 10.1016/j.molliq.2021.117841 ) ⭳ Bib
71 C. V. M. Silva, J. R. C. Santos, M. M. Rodrigo, A. C. F. Ribeiro, A. J. M. Valente, P. E. Abreu, J. M. C. Marques, M. A. Esteso:
"On the Transport and Dynamics of Disaccharides: H-Bonding Effect in Sucrose and Sucralose"
J. Mol. Liq. 2022, 345, 117855.     (DOI 10.1016/j.molliq.2021.117855 ) ⭳ Bib
70 J. A. Tamayo-Ramos, S. Martel, R. Barros, A. Bol, M. Atilhan, S. Aparicio:
"On the Behavior of Quercetin + Organic Solvent Solutions and Their Role for C60 Fullerene Solubilization"
J. Mol. Liq. 2022, 345, 117714.     (DOI 10.1016/j.molliq.2021.117714 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, CDF, CMat.
69 X. Liu, J. Xing, M. Sun, Z. Su, Z. Chen, Y. Wang, P. Cui:
"Phase Behavior and Extraction Mechanism of Methanol-n-Hexane Separation Using Choline-Based Deep Eutectic Solvent"
J. Mol. Liq. 2022, 345, 118204.     (DOI 10.1016/j.molliq.2021.118204 ) ⭳ Bib
68 R. Tomaš, Z. Kinart, A. Tot, S. Papović, T. T. Borović, M. Vraneš:
"Volumetric Properties, Conductivity and Computation Analysis of Selected Imidazolium Chloride Ionic Liquids in Ethylene Glycol"
J. Mol. Liq. 2022, 345, 118178.     (DOI 10.1016/j.molliq.2021.118178 ) ⭳ Bib
Uses TRAVIS for RDF.
67 A. Triolo, A. Paolone, A. Sarra, F. Trequattrini, O. Palumbo, G. BattistaAppetecchi, F. L. Celso, P. Chater, O. Russina:
"Structure and Vibrational Features of the Protic Ionic Liquid 1,8-Diazabicyclo[5.4.0]-undec-7-ene-8-ium Bis(trifluoromethanesulfonyl)amide, [DBUH][TFSI]"
J. Mol. Liq. 2022, 347, 117981.     (DOI 10.1016/j.molliq.2021.117981 ) ⭳ Bib
66 S. Rozas, M. Atilhan, S. Aparicio:
"Bulk Liquid Phase and Interfacial Behavior of Cineole – Based Deep Eutectic Solvents with Regard to Carbon Dioxide"
J. Mol. Liq. 2022, 353, 118748.     (DOI 10.1016/j.molliq.2022.118748 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, DProf.

— 2021 —

65 Q. Li, Y. Dong, K. D. Hammond, C. Wan:
"Revealing the Role of Hydrogen Bonding Interactions and Supramolecular Complexes in Lignin Dissolution by Deep Eutectic Solvents"
J. Mol. Liq. 2021, 344, 117779.     (DOI 10.1016/j.molliq.2021.117779 ) ⭳ Bib
Uses TRAVIS for SDF.
64 T. N. Ramos, O. Hollóczki, B. Kirchner, B. Champagne:
"Self-Aggregation of Stilbazolium Ion Pairs in Liquid Chloroform. A Molecular Dynamics Study"
J. Mol. Liq. 2021, 344, 117735.     (DOI 10.1016/j.molliq.2021.117735 ) ⭳ Bib
Uses TRAVIS for Voro, Domain.
63 J. L. Trenzado, Y. Rodríguez, A. Gutiérrez, A. Cincotti, S. Aparicio:
"Experimental and Molecular Modeling Study on the Binary Mixtures of [EMIm][BF4] and [EMIm][TFSI] Ionic Liquids"
J. Mol. Liq. 2021, 334, 116049.     (DOI 10.1016/j.molliq.2021.116049 ) ⭳ Bib
62 J. L. Trenzado, S. Rozas, M. N. Caro, M. Atilhan, S. Aparicio:
"A Combined Experimental and Theoretical Study on Diglyme + 1-Alkanol Liquid Mixtures"
J. Mol. Liq. 2021, 334, 116048.     (DOI 10.1016/j.molliq.2021.116048 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
61 C. Li, A. Li, X. Cha, Q. Liu, J. Gao, D. Xu, Y. Ma, L. Zhang:
"Comprehensive Evaluation of the Role of Phenolate Based Ionic Liquid on Extracting Pyrrole from Diverse Sources: A Combined Molecular Dynamics Simulation Study and Experiment Validation"
J. Mol. Liq. 2021, 334, 116525.     (DOI 10.1016/j.molliq.2021.116525 ) ⭳ Bib
Uses TRAVIS for SDF.
60 D. K. Panda, B. L. Bhargava:
"Intermolecular Interactions in Tetrabutylammonium Chloride Based Deep Eutectic Solvents: Classical Molecular Dynamics Studies"
J. Mol. Liq. 2021, 335, 116139.     (DOI 10.1016/j.molliq.2021.116139 ) ⭳ Bib
Uses TRAVIS for SDF, SFac.
59 A. Szabadi, R. Elfgen, R. Macchieraldo, F. L. Kearns, H. L. Woodcock, B. Kirchner, C. Schröder:
"Comparison between ab initio and Polarizable Molecular Dynamics Simulations of 1-Butyl-3-methylimidazolium Tetrafluoroborate and Chloride in Water"
J. Mol. Liq. 2021, 337, 116521.     (DOI 10.1016/j.molliq.2021.116521 ) ⭳ Bib
Uses TRAVIS for RDF, MSD, Spec.
58 A. Gutiérrez, M. Atilhan, S. Aparicio:
"Molecular Dynamics Study on Water Confinement in Deep Eutectic Solvents"
J. Mol. Liq. 2021, 339, 116758.     (DOI 10.1016/j.molliq.2021.116758 ) ⭳ Bib
57 L. Dan, K. Zhang, Z. Huang, F. Wang, Q. Wang, J. Li:
"Molecular-Level Evaluation of Ionic Transport under External Electric Fields in Biological Dielectric Liquids"
J. Mol. Liq. 2021, 340, 116883.     (DOI 10.1016/j.molliq.2021.116883 ) ⭳ Bib
56 A. K. Sieradzan, C. Czaplewski, A. Bielicka-Giełdoń, M. Bobrowski, A. Giełdoń:
"Theoretical Investigation of the Structural Insights of the Interactions of γ-Fe2O3 Nanoparticle with (EMIm TFSI) Ionic Liquid"
J. Mol. Liq. 2021, 340, 117198.     (DOI 10.1016/j.molliq.2021.117198 ) ⭳ Bib
Uses TRAVIS for SDF.
55 J. R. C. Santos, P. E. Abreu, J. M. C. Marques:
"Calculation of Diffusion Coefficients of Pesticides by Employing Molecular Dynamics Simulations"
J. Mol. Liq. 2021, 340, 117106.     (DOI 10.1016/j.molliq.2021.117106 ) ⭳ Bib
Uses TRAVIS for SDF, Aggr.
54 V. H. Paschoal, M. C. C. Ribeiro:
"Structure and Dynamics of Aromatic and Alkyl Substituted Imidazolium-Based Ionic Liquids"
J. Mol. Liq. 2021, 340, 117285.     (DOI 10.1016/j.molliq.2021.117285 ) ⭳ Bib
Uses TRAVIS for SDF, SFac.
53 A. Triolo, F. L. Celso, M. Brehm, V. D. Lisio, O. Russina:
"Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization"
J. Mol. Liq. 2021, 156, 115750.     (DOI 10.1016/j.molliq.2021.115750 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, SFac.
52 L. Maritsa, S. Martel, R. Barros, A. Bol, S. Aparicio:
"Additivation of MoS2 Nanosheets to Synthetic Poly-Alpha-Olefins Base Oils: A Theoretical Study of Nanolubrication"
J. Mol. Liq. 2021, 25, 115881.     (DOI 10.1016/j.molliq.2021.115881 ) ⭳ Bib
Uses TRAVIS for RDF.
51 S. Shokri, R. Sadeghi, S. Ebrahimi:
"A Theoretical Study for Isopiestic Equilibrium Mixtures of Ionic Liquid 1 + Ionic Liquid 2 + Water Systems"
J. Mol. Liq. 2021, 328, 115280.     (DOI 10.1016/j.molliq.2021.115280 ) ⭳ Bib
50 S. Biswas, B. M. Wong:
"Ab initio Metadynamics Calculations Reveal Complex Interfacial Effects in Acetic Acid Deprotonation Dynamics"
J. Mol. Liq. 2021, 330, 115624.     (DOI 10.1016/j.molliq.2021.115624 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, Aggr.
49 M. Atilhan, A. Cincotti, S. Aparicio:
"Nanoscopic Characterization of Type Li Porous Liquid and Its Use for CO2 Absorption from Molecular Simulation"
J. Mol. Liq. 2021, 330, 115660.     (DOI 10.1016/j.molliq.2021.115660 ) ⭳ Bib
48 M. Torkzadeh, M. Moosavi:
"Heterogeneity in Microstructures and Dynamics of Dicationic Ionic Liquids with Symmetric and Asymmetric Cations"
J. Mol. Liq. 2021, 330, 115632.     (DOI 10.1016/j.molliq.2021.115632 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, SFac, Aggr, MSD, RDyn, Domain.
47 M. Stasiulewicz, A. Panuszko, M. Śmiechowski, P. Bruździak, P. Maszota, J. Stangret:
"Effect of Urea and Glycine Betaine on the Hydration Sphere of Model Molecules for the Surface Features of Proteins"
J. Mol. Liq. 2021, 324, 115090.     (DOI 10.1016/j.molliq.2020.115090 ) ⭳ Bib
Uses TRAVIS for RDF, SDF, Spec.
46 M. S. Rodríguez-Barrios, A. Rodríguez-Fortea, L. M. Varela, D. Salavera, M. S. Larrechi, A. Coronas:
"Structural and Quantitative Analysis of Water Association in Ethylammonium Nitrate Mixtures Using Soft Modeling Resolution of NIR Spectra and Molecular Dynamics Simulations"
J. Mol. Liq. 2021, 327, 114789.     (DOI 10.1016/j.molliq.2020.114789 ) ⭳ Bib
Uses TRAVIS for SDF.
45 Z. Zhang, X. Liu, D. Yao, Z. Ma, J. Zhao, W. Zhang, P. Cui, M. Yixin, Z. Zhu, Y. Wang:
"Molecular Kinetic Extraction Mechanism Analysis of 1-Butanol from n-Heptane-1-Butanol by Choline-Based DESs as Extractants"
J. Mol. Liq. 2021, 322, 114665.     (DOI 10.1016/j.molliq.2020.114665 ) ⭳ Bib
Uses TRAVIS for SDF.

— 2020 —

44 J. Rajbangshi, S. Banerjee, P. K. Ghorai, R. Biswas:
"Cosolvent Polarity Dependence of Solution Structure in [BMIm] [PF6] + Acetonitrile/1,4-Dioxane/Hexane Binary Mixtures: Insights from Composition Dependent Voronoi Polyhedra Analyses, Iso-Surfaces and Radial Distribution Functions"
J. Mol. Liq. 2020, 317, 113746.     (DOI 10.1016/j.molliq.2020.113746 ) ⭳ Bib
Uses TRAVIS for SDF.
43 F. Mbaiwa, M. Nyepetsi:
"Molecular Dynamics and Density Functional Theory Studies of Γ-Butyrolactone (GBL) + Ethanol and Γ-Valerolactone (GVL) + Ethanol Liquid Mixtures"
J. Mol. Liq. 2020, 319, 114128.     (DOI 10.1016/j.molliq.2020.114128 ) ⭳ Bib
42 S. Borah, P. P. Kumar:
"Hydration Structure of As–III Aqueous Solutions from ab initio Molecular Dynamics Simulations"
J. Mol. Liq. 2020, 318, 114056.     (DOI 10.1016/j.molliq.2020.114056 ) ⭳ Bib
Uses TRAVIS for SDF.
41 I. D. Zakiryanova, D. O. Zakiryanov:
"Ab initio Molecular Dynamics Simulations and Raman Spectra of the YbCl3 - KCl and Yb2O3 - YbCl3 - KCl Ionic Melts"
J. Mol. Liq. 2020, 318, 114054.     (DOI 10.1016/j.molliq.2020.114054 ) ⭳ Bib
Uses TRAVIS for Power.
40 A. Triolo, F. L. Celso, N. V. Plechkova, F. Leonelli, S. Gärtner, D. S. Keeble, O. Russina:
"Structure of Anisole Derivatives by Total Neutron and X-Ray Scattering: Evidences of Weak C H⋯O and C H⋯π Interactions in the Liquid State"
J. Mol. Liq. 2020, 314, 113795.     (DOI 10.1016/j.molliq.2020.113795 ) ⭳ Bib
Uses TRAVIS for RDF, NI, SDF, CDF, SFac.
39 N. Kumar, P. K. Naik, T. Banerjee:
"Molecular Modeling Insights in the Extraction of Benzene from Hydrocarbon Stream Using Deep Eutectic Solvent"
J. Mol. Liq. 2020, 317, 113909.     (DOI 10.1016/j.molliq.2020.113909 ) ⭳ Bib
38 L. Maritsa, A. Bol, S. Aparicio:
"Densification and Tribofilm Formation in Hydrocarbon Nanofluids Induced by MoS2 Nanotubes"
J. Mol. Liq. 2020, 311, 113291.     (DOI 10.1016/j.molliq.2020.113291 ) ⭳ Bib
37 S. Borah:
"Spatially Resolved Hydration Shells and Dynamics of Different Sulfur Species in Water from First-Principle Molecular Dynamics Simulations"
J. Mol. Liq. 2020, 312, 113387.     (DOI 10.1016/j.molliq.2020.113387 ) ⭳ Bib
Uses TRAVIS for SDF.
36 M. Moghaddari, F. Yousefi, S. Aparicio, S. M. Hosseini:
"Thermal Conductivity and Structuring of Multiwalled Carbon Nanotubes Based Nanofluids"
J. Mol. Liq. 2020, 307, 112977.     (DOI 10.1016/j.molliq.2020.112977 ) ⭳ Bib
Uses TRAVIS for RDF, DProf.
35 M. Soleymanibrojeni, H. Shi, F. Liu, E.-H. Han:
"Water in Confinement of Epoxy Layer and Hydroxylated (001) γ-Alumina: An Atomistic Simulation View"
J. Mol. Liq. 2020, 307, 112976.     (DOI 10.1016/j.molliq.2020.112976 ) ⭳ Bib
Uses TRAVIS for SDF.
34 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.
33 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
32 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.
31 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.
30 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
29 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
28 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.
27 D. O. Zakiryanov, I. D. Zakiryanova, N. K. Tkachev:
"Study of Local Structure and Ion Dynamics in GdCl3 - Gd2O3 and KCl - GdCl3 - Gd2O3 Melts: In situ Raman Spectroscopy and ab initio Molecular Dynamics"
J. Mol. Liq. 2020, 301, 112396.     (DOI 10.1016/j.molliq.2019.112396 ) ⭳ Bib
Uses TRAVIS for RDF, Power.
26 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
25 J. Zubeltzu, E. Formoso, E. Rezabal:
"Lignin Solvation by Ionic Liquids: The Role of Cation"
J. Mol. Liq. 2020, 303, 112588.     (DOI 10.1016/j.molliq.2020.112588 ) ⭳ Bib
Uses TRAVIS for RDF.

— 2019 —

24 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
23 R. Stefanovic, G. B. Webber, A. J. Page:
"Polymer Solvation in Choline Chloride Deep Eutectic Solvents Modulated by the Hydrogen Bond Donor"
J. Mol. Liq. 2019, 279, 584–593.     (DOI 10.1016/j.molliq.2019.02.004 ) ⭳ Bib
Uses TRAVIS for RDF, NI.
22 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.
21 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
20 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
19 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
18 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.
17 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
16 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
15 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.
14 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.

— 2018 —

13 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.
12 N. Zec, A. Idrissi, M. Bešter-Rogač, M. B. Vraneš, S. B. Gadžurić:
"Insights into Interactions between 1-Butyl-3-methylimidazolium Dicyanamide and Molecular Solvents: Γ-Valerolactone, Γ-Butyrolactone and Propylene Carbonate. Volumetric Properties and MD Simulations"
J. Mol. Liq. 2018, 268, 481–489.     (DOI 10.1016/j.molliq.2018.07.079 ) ⭳ Bib
Uses TRAVIS for CDF.
11 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.

— 2017 —

10 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.
9 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.
8 O. W. Kgagodi, F. Mbaiwa:
"Molecular Dynamics Study of 2,2′-Difurylmethane and n-Propanol Binary Mixture"
J. Mol. Liq. 2017, 227, 366–372.     (DOI 10.1016/j.molliq.2016.10.128 ) ⭳ Bib
7 V. A. Koverga, O. M. Korsun, O. N. Kalugin, B. A. Marekha, A. Idrissi:
"A New Potential Model for Acetonitrile: Insight into the Local Structure Organization"
J. Mol. Liq. 2017, 233, 251–261.     (DOI 10.1016/j.molliq.2017.03.025 ) ⭳ Bib
6 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

— 2015 —

5 L. M. Varela, T. Méndez-Morales, J. Carrete, V. Gómez-González, B. Docampo-Álvarez, L. J. Gallego, O. Cabeza, O. Russina:
"Solvation of Molecular Cosolvents and Inorganic Salts in Ionic Liquids: A Review of Molecular Dynamics Simulations"
J. Mol. Liq. 2015, 210, 178–188.     (DOI 10.1016/j.molliq.2015.06.036 ) ⭳ Bib
Uses TRAVIS for RDF.
4 S. Biswas, B. S. Mallik:
"Aqueous Solvation of an Amide Molecule from First Principles Molecular Simulations: Structure, Hydrogen Bond Dynamics and Spectral Signature"
J. Mol. Liq. 2015, 212, 941–946.     (DOI 10.1016/j.molliq.2015.11.005 ) ⭳ Bib
Uses TRAVIS for CDF.
3 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.

— 2014 —

2 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

— 2013 —

1 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.

— Author List —

Only showing results in journal “J. Mol. Liq.”. Show all citations.

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223 different authors contributed to the 72 articles shown above.

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Citations ↓ A–ZAuthor Name ↓ A–Z
13(show)Aparicio, S.
7(show)Atilhan, M.
6(show)Russina, O.
5(show)Triolo, A.
4(show)Gutiérrez, A.
4(show)Idrissi, A.
4(show)Mallik, B. S.
4(show)Trenzado, J. L.
3(show)Biswas, S.
3(show)Bol, A.
3(show)Celso, F. L.
3(show)Cordeiro, M. N. D. S.
3(show)Hosseini, S. M.
3(show)Kirchner, B.
3(show)Koverga, V. A.
3(show)Rozas, S.
3(show)Voroshylova, I. V.
2(show)Abreu, P. E.
2(show)Ahmadi, R.
2(show)Alavianmehr, M. M.
2(show)Alcalde, R.
2(show)Barros, R.
2(show)Bielicka-Giełdoń, A.
2(show)Bobrowski, M.
2(show)Borah, S.
2(show)Brehm, M.
2(show)Caminiti, R.
2(show)Cincotti, A.
2(show)Cui, P.
2(show)Czaplewski, C.
2(show)Ebrahimi, S.
2(show)Ferreira, E. S. C.
2(show)Gadžurić, S. B.
2(show)Gontrani, L.
2(show)Hollóczki, O.
2(show)Giełdoń, A.
2(show)Figueiredo, N. M.
2(show)Kalugin, O. N.
2(show)Liu, X.
2(show)Mariani, A.
2(show)Maritsa, L.
2(show)Marques, J. M. C.
2(show)Martel, S.
2(show)Mbaiwa, F.
2(show)Papović, S.
2(show)Sadeghi, R.
2(show)Santos, J. R. C.
2(show)Shokri, S.
2(show)Varela, L. M.
2(show)Vraneš, M. B.
2(show)Wang, Y.
2(show)Zakiryanov, D. O.
2(show)Zakiryanova, I. D.
2(show)Zec, N.
1(show)Agrawal, S.
1(show)Aguilar, N.
1(show)Ajduković, J.
1(show)Appetecchi, G. B.
1(show)Banerjee, S.
1(show)Banerjee, T.
1(show)BattistaAppetecchi, G.
1(show)Bencivenni, L.
1(show)Bešter-Rogač, M.
1(show)Bhargava, B. L.
1(show)Biswas, A.
1(show)Biswas, R.
1(show)Borović, T. T.
1(show)Brüssel, M.
1(show)Bruździak, P.
1(show)Cabeza, O.
1(show)Campetella, M.
1(show)Capitani, F.
1(show)Cappelli, C.
1(show)Caro, M. N.
1(show)Carrete, J.
1(show)Cha, X.
1(show)Chakraborty, D.
1(show)Champagne, B.
1(show)Chater, P.
1(show)Chen, Z.
1(show)Cisneros, G. A.
1(show)Coronas, A.
1(show)Dan, L.
1(show)Daniele, M.
1(show)di Dio, P. J.
1(show)Dilip, H. N.
1(show)Docampo-Álvarez, B.
1(show)Dong, Y.
1(show)Egidi, F.
1(show)El-Shaikh, M.
1(show)Elfgen, R.
1(show)Esteso, M. A.
1(show)Fakhraee, M.
1(show)Fasolato, C.
1(show)Flores-Ruiz, H. M.
1(show)Formoso, E.
1(show)Gallego, L. J.
1(show)Gao, J.
1(show)Gärtner, S.
1(show)Goel, H.
1(show)Gómez-González, V.
1(show)Gómez, S.
1(show)Hammond, K. D.
1(show)Han, E.-H.
1(show)Huang, Z.
1(show)Jackson, A. A.
1(show)Fileti, E. E.
1(show)Ghatee, M. H.
1(show)Ghorai, P. K.
1(show)Giovannini, T.
1(show)Kartha, T. R.
1(show)Kashyap, H. K.
1(show)Kearns, F. L.
1(show)Keeble, D. S.
1(show)Keiderling, U.
1(show)Kgagodi, O. W.
1(show)Kinart, Z.
1(show)Kohagen, M.
1(show)Korsun, O. M.
1(show)Kowsari, M. H.
1(show)Kumar, N.
1(show)Kumar, P. P.
1(show)Larrechi, M. S.
1(show)Lehmann, S. B. C.
1(show)Leonelli, F.
1(show)Li, A.
1(show)Li, C.
1(show)Li, J.
1(show)Li, Q.
1(show)Lisio, V. D.
1(show)Liu, F.
1(show)Liu, Q.
1(show)Lo Celso, F.
1(show)Lupi, S.
1(show)Ma, Y.
1(show)Ma, Z.
1(show)Macchieraldo, R.
1(show)Malberg, F.
1(show)Marekha, B. A.
1(show)Maszota, P.
1(show)Méndez-Morales, T.
1(show)Miannay, F.-A.
1(show)Mohebbi, A.
1(show)Moghaddari, M.
1(show)Moosavi, M.
1(show)Moradi, K.
1(show)Naderi, O.
1(show)Naik, P. K.
1(show)Nyepetsi, M.
1(show)Page, A. J.
1(show)Palumbo, O.
1(show)Panaget, T.
1(show)Panda, D. K.
1(show)Panuszko, A.
1(show)Paolone, A.
1(show)Paschoal, V. H.
1(show)Pensado, A. S.
1(show)Pereira, C. M.
1(show)Pezeshki, M.
1(show)Plechkova, N. V.
1(show)Postorino, P.
1(show)Pouramini, Z.
1(show)Puglisi, A.
1(show)Rai, N.
1(show)Rajbangshi, J.
1(show)Ramos, T. N.
1(show)Rezabal, E.
1(show)Ribeiro, A. C. F.
1(show)Ribeiro, M. C. C.
1(show)Rodrigo, M. M.
1(show)Rodríguez-Barrios, M. S.
1(show)Rodríguez-Fortea, A.
1(show)Rodríguez, Y.
1(show)Rossi, B.
1(show)Salavera, D.
1(show)Sampaio, A. M.
1(show)Sarra, A.
1(show)Schöppke, M.
1(show)Schröder, C.
1(show)Sieradzan, A. K.
1(show)Silva, C. V. M.
1(show)Simonetti, E.
1(show)Siqueira, L. J. A.
1(show)Shi, H.
1(show)Śmiechowski, M.
1(show)Smortsova, Y.
1(show)Soleymanibrojeni, M.
1(show)Stangret, J.
1(show)Stasiulewicz, M.
1(show)Stefanovic, R.
1(show)Su, Z.
1(show)Sun, M.
1(show)Szabadi, A.
1(show)Tamayo-Ramos, J. A.
1(show)Tkachev, N. K.
1(show)Tomaš, R.
1(show)Torkzadeh, M.
1(show)Tot, A.
1(show)Trequattrini, F.
1(show)Valente, A. J. M.
1(show)Vázquez-Montelongo, E. A.
1(show)Vraneš, M.
1(show)Wan, C.
1(show)Wang, F.
1(show)Wang, Q.
1(show)Webber, G. B.
1(show)Weber, H.
1(show)Windom, Z. W.
1(show)Wong, B. M.
1(show)Woodcock, H. L.
1(show)Xing, J.
1(show)Xu, D.
1(show)Yao, D.
1(show)Yixin, M.
1(show)Yousefi, F.
1(show)Zahn, S.
1(show)Zhang, K.
1(show)Zhang, L.
1(show)Zhang, W.
1(show)Zhang, Z.
1(show)Zhao, J.
1(show)Zhu, Z.
1(show)Zubeltzu, J.

— Journal List —

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The 72 articles shown above were published in 1 different journals.

CitationsJournal Name
72(show)J. Mol. Liq.