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.

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 431 such publications, written by 957 different authors.
407 out of these (94.43 %) actually used TRAVIS for results in the manuscript.

Only showing work with “Number Integrals / Coordination Numbers” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

Filter by TRAVIS Analyses...

Show only articles where TRAVIS was used to compute...

... any result (407)

... RDFs (g(r), Radial Distribution Functions) (163)

... Number Integrals / Coordination Numbers (43)

... SDFs (Spatial Distribution Functions) (206)

... CDFs (Combined Distribution Functions) (119)

... 3D CDFs (3)

... Structure Factors / van Howe Correlations (24)

... Density Profiles (6)

... Aggregate Lifetimes (H Bonds, ...), Reactive Flux (44)

... Voronoi-based Domain Analysis (18)

... Power Spectra / Vibrational Density of States (40)

... Vibrational Spectra (IR, Raman, VCD, ROA) (45)

... Bulk Phase Normal Modes (6)

43 citations match the query. Show continuous list view.

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— 2020 —

43	J. Blasius, R. Elfgen, O. Hollóczki, B. Kirchner: "Glucose in Dry and Moist Ionic Liquid: Vibrational Circular Dichroism, IR, and Possible Mechanisms" Phys. Chem. Chem. Phys. 2020, accepted. (DOI 10.1039/C9CP06798A ) ⭳ Bib Uses TRAVIS for RDF, NI , Spec.
42	M. H. Dokoohaki, A. R. Zolghadr, A. Klein: "Impact of the Chemical Structure on the Distribution of Neuroprotective N-Alkyl-9H-carbazoles at Octanol/Water Interfaces" New J. Chem. 2020, 44 (4), 1211–1220. (DOI 10.1039/C9NJ04251B ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, DProf.
41	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.

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— 2019 —

40	D. S. Dudariev, K. O. Logacheva, Y. V. Kolesnik, O. N. Kalugin: "Interparticle interactions and dynamics in BmimBF4 and LiBF4 solutions in propylene carbonate: MD simulation" V. N. Karazin Kharkiv National University Bulletin. Chemical Series 2019, 33, 54–64. (DOI 10.26565/2220-637X-2019-33-04 ) ⭳ Bib Uses TRAVIS for RDF, NI .
39	L. M. Lawson Daku: "Spin-State Dependence of the Structural and Vibrational Properties of Solvated Iron(II) Polypyridyl Complexes from AIMD Simulations: II. Aqueous [Fe(TPy)2]Cl2" Phys. Chem. Chem. Phys. 2019, 21 (2), 650–661. (DOI 10.1039/C8CP06671J ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, Spec.
38	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.
37	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.
36	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 .
35	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.
34	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.
33	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.
32	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.
31	T. Giovannini, R. R. Riso, M. Ambrosetti, A. Puglisi, C. Cappelli: "Electronic Transitions for a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles: Linear and Corrected Linear Response Regimes" J. Chem. Phys. 2019, 151 (17), 174104. (DOI 10.1063/1.5121396 ) ⭳ Bib Uses TRAVIS for RDF, NI .
30	M. B. Vraneš, J. J. Panić, A. S. Tot, S. M. Ostojić, D. D. Četojević-Simin, N. Ž. Janković, S. B. Gadžurić: "Synthesis and Thermophysical Characterization of New Biologically Friendly Agmatine-Based Ionic Liquids and Salts by Experimental and Computational Approach" ACS Sustainable Chem. Eng. 2019, 7 (12), 10773–10783. (DOI 10.1021/acssuschemeng.9b01515 ) ⭳ Bib Uses TRAVIS for RDF, NI .
29	V. A. Koverga, Y. Smortsova, F.-A. Miannay, O. N. Kalugin, T. Takamuku, P. Jedlovszky, B. A. Marekha, M. N. D. S. Cordeiro, A. Idrissi: "Distance Angle Descriptors of the Interionic and Ion–Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study" J. Phys. Chem. B 2019, 123 (28), 6065–6075. (DOI 10.1021/acs.jpcb.9b03838 ) ⭳ Bib Uses TRAVIS for RDF, NI .

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— 2018 —

28	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.
27	S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, B. Kirchner: "Structure and Lifetimes in Ionic Liquids and Their Mixtures" Faraday Discuss. 2018, 206, 219–245. (DOI 10.1039/C7FD00166E ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, Aggr, Domain.
26	L. M. Lawson Daku: "Spin-State Dependence of the Structural and Vibrational Properties of Solvated Iron(II) Polypyridyl Complexes from AIMD Simulations: Aqueous [Fe(bpy)3]Cl2, a Case Study" Phys. Chem. Chem. Phys. 2018, 20 (9), 6236–6253. (DOI 10.1039/C7CP07862E ) ⭳ Bib Uses TRAVIS for RDF, NI , Power, Spec, NC.
25	M. Brehm, D. Sebastiani: "Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-methylimidazolium Acetate" J. Chem. Phys. 2018, 148 (19), 193802. (DOI 10.1063/1.5010342 ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, Aggr, Voro, Power, NC.
24	S. Gehrke, O. Hollóczki: "Hydrogen Bonding of N-Heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization" Chem. Eur. J 2018, 24 (45), 11594–11604. (DOI 10.1002/chem.201802286 ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, Aggr.
23	L. Gontrani, F. Trequattrini, O. Palumbo, L. Bencivenni, A. Paolone: "New Experimental Evidences Regarding Conformational Equilibrium in Ammonium−bis(trifluoromethanesulfonyl)imide Ionic Liquids" ChemPhysChem 2018, 19 (20), 2776–2781. (DOI 10.1002/cphc.201800442 ) ⭳ Bib Uses TRAVIS for RDF, NI .
22	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.
21	S. L. Waite, H. Li, A. J. Page: "NO2 Solvation Structure in Choline Chloride Deep Eutectic Solvents—The Role of the Hydrogen Bond Donor" J. Phys. Chem. B 2018, 122 (15), 4336–4344. (DOI 10.1021/acs.jpcb.8b01508 ) ⭳ Bib Uses TRAVIS for RDF, NI .
20	B. Milovanović, M. Kojić, M. Petković, M. Etinski: "New Insight into Uracil Stacking in Water from ab initio Molecular Dynamics" J. Chem. Theory Comput. 2018, 14 (5), 2621–2632. (DOI 10.1021/acs.jctc.8b00139 ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, Power, Spec.
19	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.
18	R. Macchieraldo, L. Esser, R. Elfgen, P. Voepel, S. Zahn, B. M. Smarsly, B. Kirchner: "Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water" ACS Omega 2018, 3 (8), 8567–8582. (DOI 10.1021/acsomega.8b00995 ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, Aggr, Voro, Power.
17	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.
16	P. Ray, A. Balducci, B. Kirchner: "Molecular Dynamics Simulations of Lithium-Doped Ionic-Liquid Electrolytes" J. Phys. Chem. B 2018, 122 (46), 10535–10547. (DOI 10.1021/acs.jpcb.8b06022 ) ⭳ Bib Uses TRAVIS for RDF, NI , Aggr, MSD.

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— 2017 —

15	V. K. Yadav, M. L. Klein: "Probing the Dynamics of N-Methylacetamide in Methanol via ab initio Molecular Dynamics" Phys. Chem. Chem. Phys. 2017, 19 (20), 12868–12875. (DOI 10.1039/C7CP00690J ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, Power, Spec.
14	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.
13	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.
12	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.
11	G. Cametti, T. Armbruster, J. Hermann, S. Churakov: "Crystal Structure and Phase Transition in Noelbensonite: A Multi-Methodological Study" Phys. Chem. Miner. 2017, 44 (7), 485–496. (DOI 10.1007/s00269-017-0876-3 ) ⭳ Bib Uses TRAVIS for RDF, NI , Spec.
10	M. Campetella, M. Macchiagodena, L. Gontrani, B. Kirchner: "Effect of Alkyl Chain Length in Protic Ionic Liquids: An AIMD Perspective" Mol. Phys. 2017, 115 (13), 1582–1589. (DOI 10.1080/00268976.2017.1308027 ) ⭳ Bib Uses TRAVIS for NI , Aggr.
9	A. Korotkevich, D. S. Firaha, A. A. H. Pádua, B. Kirchner: "Ab initio Molecular Dynamics Simulations of SO2 Solvation in Choline Chloride/Glycerol Deep Eutectic Solvent" Fluid Phase Equilib. 2017, 448, 59–68. (DOI 10.1016/j.fluid.2017.03.024 ) ⭳ Bib Uses TRAVIS for RDF, NI .
8	T. P. Pollard, T. L. Beck: "Structure and Polarization near the Li+ Ion in Ethylene and Propylene Carbonates" J. Chem. Phys. 2017, 147 (16), 161710. (DOI 10.1063/1.4992788 ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF.
7	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.
6	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.
5	P. Ray, T. Vogl, A. Balducci, B. Kirchner: "Structural Investigations on Lithium-Doped Protic and Aprotic Ionic Liquids" J. Phys. Chem. B 2017, 121 (20), 5279–5292. (DOI 10.1021/acs.jpcb.7b02636 ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF.

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— 2015 —

4	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.

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— 2013 —

3	M. Campetella, L. Gontrani, E. Bodo, F. Ceccacci, F. C. Marincola, R. Caminiti: "Conformational Isomerisms and Nano-Aggregation in Substituted Alkylammonium Nitrates Ionic Liquids: An X-Ray and Computational Study of 2-Methoxyethylammonium Nitrate" J. Chem. Phys. 2013, 138 (18), 184506. (DOI 10.1063/1.4803799 ) ⭳ Bib Uses TRAVIS for RDF, NI , SFac.
2	H. Weber, O. Hollóczki, A. S. Pensado, B. Kirchner: "Side Chain Fluorination and Anion Effect on the Structure of 1-Butyl-3-methylimidazolium Ionic Liquids" J. Chem. Phys. 2013, 139 (8), 84502. (DOI 10.1063/1.4818540 ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF.

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— 2012 —

1	M. Brüssel, M. Brehm, A. S. Pensado, F. Malberg, M. Ramzan, A. Stark, B. Kirchner: "On the Ideality of Binary Mixtures of Ionic Liquids" Phys. Chem. Chem. Phys. 2012, 14 (38), 13204. (DOI 10.1039/c2cp41926b ) ⭳ Bib Uses TRAVIS for RDF, NI , CDF, 3D CDF, MSD, Power.

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— Author List —

Go to Article List, go to Journal List.

122 different authors contributed to the 43 articles shown above.

Citations ↓ A–Z		Author Name ↓ A–Z
11	(show)	Kirchner, B.
4	(show)	Brehm, M.
4	(show)	Gontrani, L.
4	(show)	Hollóczki, O.
3	(show)	Campetella, M.
3	(show)	Elfgen, R.
3	(show)	Idrissi, A.
3	(show)	Kalugin, O. N.
3	(show)	Koverga, V. A.
3	(show)	Ray, P.
2	(show)	Agieienko, V.
2	(show)	Balducci, A.
2	(show)	Bencivenni, L.
2	(show)	Bodo, E.
2	(show)	Buchner, R.
2	(show)	Caminiti, R.
2	(show)	Cordeiro, M. N. D. S.
2	(show)	Gadžurić, S. B.
2	(show)	Gehrke, S.
2	(show)	Horinek, D.
2	(show)	Jedlovszky, P.
2	(show)	Kowsari, M. H.
2	(show)	Lawson Daku, L. M.
2	(show)	Malberg, F.
2	(show)	Marekha, B. A.
2	(show)	Mariani, A.
2	(show)	Miannay, F.-A.
2	(show)	Pádua, A. A. H.
2	(show)	Page, A. J.
2	(show)	Pensado, A. S.
2	(show)	Sebastiani, D.
2	(show)	Smortsova, Y.
2	(show)	Vraneš, M. B.
2	(show)	Zahn, S.
1	(show)	Ajduković, J.
1	(show)	Alizadeh, V.
1	(show)	Ambrosetti, M.
1	(show)	Armbruster, T.
1	(show)	Beck, T. L.
1	(show)	Blasius, J.
1	(show)	Bonomo, M.
1	(show)	Brüssel, M.
1	(show)	Cametti, G.
1	(show)	Capitani, F.
1	(show)	Cappelli, C.
1	(show)	Ceccacci, F.
1	(show)	Celia-Silva, L. G.
1	(show)	Četojević-Simin, D. D.
1	(show)	Churakov, S.
1	(show)	Clark, R.
1	(show)	Daniele, M.
1	(show)	Dokoohaki, M. H.
1	(show)	Dudariev, D. S.
1	(show)	Ebrahimi, S.
1	(show)	Esser, L.
1	(show)	Etinski, M.
1	(show)	Fasolato, C.
1	(show)	Ferreira, E. S. C.
1	(show)	Geller, D.
1	(show)	Goloviznina, K.
1	(show)	Hermann, J.
1	(show)	Hölzl, C.
1	(show)	Janković, N. Ž.
1	(show)	Filipe, E. J. M.
1	(show)	Firaha, D. S.
1	(show)	Giovannini, T.
1	(show)	Figueiredo, N. M.
1	(show)	Kapoor, U.
1	(show)	Klein, A.
1	(show)	Klein, M. L.
1	(show)	Kojić, M.
1	(show)	Kolesnik, Y. V.
1	(show)	Korotkevich, A.
1	(show)	Li, H.
1	(show)	Logacheva, K. O.
1	(show)	Lucas, E. F.
1	(show)	Lupi, S.
1	(show)	Luzar, A.
1	(show)	Macchiagodena, M.
1	(show)	Macchieraldo, R.
1	(show)	Marincola, F. C.
1	(show)	Martins, L. F. G.
1	(show)	Milovanović, B.
1	(show)	Mohebbi, A.
1	(show)	Morgado, P.
1	(show)	Noroozi, J.
1	(show)	Ostojić, S. M.
1	(show)	Paluch, A. S.
1	(show)	Palumbo, O.
1	(show)	Panaget, T.
1	(show)	Panić, J. J.
1	(show)	Paolone, A.
1	(show)	Papović, S.
1	(show)	Passerini, S.
1	(show)	Petković, M.
1	(show)	Pollard, T. P.
1	(show)	Postorino, P.
1	(show)	Pouramini, Z.
1	(show)	Puglisi, A.
1	(show)	Pylaeva, S. A.
1	(show)	Ramzan, M.
1	(show)	Riso, R. R.
1	(show)	Sánchez, P. B.
1	(show)	Shah, J. K.
1	(show)	Smarsly, B. M.
1	(show)	Stark, A.
1	(show)	Stefanovic, R.
1	(show)	Takamuku, T.
1	(show)	Tot, A. S.
1	(show)	Trequattrini, F.
1	(show)	Vilela, P. B.
1	(show)	Voepel, P.
1	(show)	Vogl, T.
1	(show)	von Domaros, M.
1	(show)	Voroshylova, I. V.
1	(show)	Waite, S. L.
1	(show)	Webber, G. B.
1	(show)	Weber, H.
1	(show)	Welton, T.
1	(show)	Yadav, V. K.
1	(show)	Zec, N.
1	(show)	Zolghadr, A. R.

— Journal List —

Go to Article List, go to Author List.

The 43 articles shown above were published in 18 different journals.

Citations		Journal Name
10	(show)	Phys. Chem. Chem. Phys.
8	(show)	J. Phys. Chem. B
5	(show)	J. Chem. Phys.
5	(show)	J. Mol. Liq.
2	(show)	ChemPhysChem
1	(show)	ACS Omega
1	(show)	ACS Sustainable Chem. Eng.
1	(show)	Chem. Eur. J
1	(show)	Energy Fuels
1	(show)	Faraday Discuss.
1	(show)	Fluid Phase Equilib.
1	(show)	J. Chem. Theory Comput.
1	(show)	Mol. Phys.
1	(show)	New J. Chem.
1	(show)	Phys. Chem. Miner.
1	(show)	Sci. Rep.
1	(show)	Symmetry
1	(show)	V. N. Karazin Kharkiv National University Bulletin. Chemical Series