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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

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 “Aggregate Lifetimes (H Bonds, ...), Reactive Flux” from TRAVIS. Show all citations.

Go to Author List, go to Journal List.

44 citations match the query.  Show continuous list view.

— 2020 —

44 T. D. N. Reddy, B. S. Mallik:
"Ionic Dynamics of Hydroxylammonium Ionic Liquids: A Classical Molecular Dynamics Simulation Study"
J. Phys. Chem. B 2020, 124 (24), 4960–4974.     (DOI 10.1021/acs.jpcb.0c01388 ) ⭳ Bib
Uses TRAVIS for
Aggr
.
43 Y. Zhang, D. Poe, L. Heroux, H. Squire, B. W. Doherty, Z. Long, M. Dadmun, B. Gurkan, M. E. Tuckerman, E. J. Maginn:
"Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline"
J. Phys. Chem. B 2020, 124 (25), 5251–5264.     (DOI 10.1021/acs.jpcb.0c04058 ) ⭳ Bib
Uses TRAVIS for RDF, SFac,
Aggr
.
42 C. Dreßler, D. Sebastiani:
"Effect of Anion Reorientation on Proton Mobility in the Solid Acids Family CsHyXO4 (X = S, P, Se, y = 1, 2) from ab initio Molecular Dynamics Simulations"
Phys. Chem. Chem. Phys. 2020, accepted.     (DOI 10.1039/C9CP06473G ) ⭳ Bib
Uses TRAVIS for RDF, CDF,
Aggr
, MSD, RDyn.
41 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.
40 A. France-Lanord, Y. Wang, T. Xie, J. A. Johnson, Y. Shao-Horn, J. C. Grossman:
"Effect of Chemical Variations in the Structure of Poly(ethylene Oxide)-Based Polymers on Lithium Transport in Concentrated Electrolytes"
Chem. Mater. 2020, 32 (1), 121–126.     (DOI 10.1021/acs.chemmater.9b02645 ) ⭳ Bib
Uses TRAVIS for
Aggr
.

— 2019 —

39 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
.
38 S. Gehrke, R. Macchieraldo, B. Kirchner:
"Understanding the Fluidity of Condensed Phase Systems in Terms of Voids—Novel Algorithm, Implementation and Application"
Phys. Chem. Chem. Phys. 2019, 21 (9), 4988–4997.     (DOI 10.1039/C8CP07120A ) ⭳ Bib
Uses TRAVIS for RDF,
Aggr
, Voro.
37 C. Apostolidou:
"OH Radical in Water from ab initio Molecular Dynamics Simulation Employing Hybrid Functionals"
J. Chem. Phys. 2019, 151 (6), 64111.     (DOI 10.1063/1.5107479 ) ⭳ Bib
Uses TRAVIS for RDF, CDF,
Aggr
.
36 R. Macchieraldo, S. Gehrke, N. K. Batchu, B. Kirchner, K. Binnemans:
"Tuning Solvent Miscibility: A Fundamental Assessment on the Example of Induced Methanol/n-Dodecane Phase Separation"
J. Phys. Chem. B 2019, 123 (20), 4400–4407.     (DOI 10.1021/acs.jpcb.9b00839 ) ⭳ Bib
Uses TRAVIS for RDF,
Aggr
, MSD, Domain.
35 S. Gehrke, B. Kirchner:
"Robustness of the Hydrogen Bond and Ion Pair Dynamics in Ionic Liquids to Different Parameters from the Reactive Flux Method"
J. Chem. Eng. Data 2019, 65 (3), 1146–1158.     (DOI 10.1021/acs.jced.9b00529 ) ⭳ Bib
Uses TRAVIS for
Aggr
.
34 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
.
33 K. G. Chattaraj, S. Paul:
"Inclusion of Theobromine Modifies Uric Acid Aggregation with Possible Changes in Melamine–Uric Acid Clusters Responsible for Kidney Stones"
J. Phys. Chem. B 2019, 123 (49), 10483–10504.     (DOI 10.1021/acs.jpcb.9b08487 ) ⭳ Bib
Uses TRAVIS for CDF,
Aggr
.

— 2018 —

32 P. Kumar, P. Prakash, K. R. Ramya, A. Venkatnathan:
"Probing Translational and Rotational Dynamics in Hydrophilic/Hydrophobic Anion Based Imidazolium Ionic Liquid–Water Mixtures"
Soft Matter 2018, 14 (29), 6109–6118.     (DOI 10.1039/C8SM00765A ) ⭳ Bib
Uses TRAVIS for
Aggr
.
31 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.
30 M. Macchiagodena, G. Mancini, M. Pagliai, G. Cardini, V. Barone:
"New Atomistic Model of Pyrrole with Improved Liquid State Properties and Structure"
Int. J. Quantum Chem. 2018, 118 (9), e25554.     (DOI 10.1002/qua.25554 ) ⭳ Bib
Uses TRAVIS for RDF, CDF, 3D CDF, SFac,
Aggr
.
29 C. J. Smith, S. Gehrke, O. Hollóczki, D. V. Wagle, M. P. Heitz, G. A. Baker:
"NMR Relaxometric Probing of Ionic Liquid Dynamics and Diffusion under Mesoscopic Confinement within Bacterial Cellulose Ionogels"
J. Chem. Phys. 2018, 148 (19), 193845.     (DOI 10.1063/1.5016337 ) ⭳ Bib
Uses TRAVIS for RDF, DProf,
Aggr
, MSD, RDyn.
28 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.
27 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
.
26 F. Mohammadpour, M. H. Dokoohaki, A. R. Zolghadr, M. H. Ghatee, M. Moradi:
"Confinement of Aqueous Mixtures of Ionic Liquids between Amorphous TiO2 Slit Nanopores: Electrostatic Field Induction"
Phys. Chem. Chem. Phys. 2018, 20 (46), 29493–29502.     (DOI 10.1039/C8CP04500C ) ⭳ Bib
Uses TRAVIS for
Aggr
.
25 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.
24 K. G. Chattaraj, S. Paul:
"Understanding of Structure and Thermodynamics of Melamine Association in Aqueous Solution from a Unified Theoretical and Experimental Approach"
J. Chem. Inf. Model. 2018, 58 (8), 1610–1624.     (DOI 10.1021/acs.jcim.8b00231 ) ⭳ Bib
Uses TRAVIS for
Aggr
.
23 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.
22 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.

— 2017 —

21 L. Gontrani, E. Scarpellini, R. Caminiti, M. Campetella:
"Bio Ionic Liquids and Water Mixtures: A Structural Study"
RSC Adv. 2017, 7 (31), 19338–19344.     (DOI 10.1039/C6RA28545G ) ⭳ Bib
Uses TRAVIS for CDF,
Aggr
.
20 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
.
19 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
.
18 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
.
17 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
.
16 L. Gontrani, R. Caminiti, U. Salma, M. Campetella:
"A Structural and Theoretical Study of the Alkylammonium Nitrates Forefather: Liquid Methylammonium Nitrate"
Chem. Phys. Lett. 2017, 684, 304–309.     (DOI 10.1016/j.cplett.2017.07.017 ) ⭳ Bib
Uses TRAVIS for
Aggr
.
15 L. Gontrani, F. Leonelli, M. Campetella:
"An X-Ray and Computational Study of Liquid Pentylammonium Nitrate"
Chem. Phys. Lett. 2017, 687, 38–43.     (DOI 10.1016/j.cplett.2017.08.068 ) ⭳ Bib
Uses TRAVIS for
Aggr
.
14 V. K. Yadav:
"Formaldehyde-Mediated Spectroscopic Properties of Heavy Water from First Principles Simulation"
Comput. Theor. Chem. 2017, 1122, 9–15.     (DOI 10.1016/j.comptc.2017.10.009 ) ⭳ Bib
Uses TRAVIS for CDF,
Aggr
, Power.
13 S. Gehrke, K. Schmitz, O. Hollóczki:
"Is Carbene Formation Necessary for Dissolving Cellulose in Ionic Liquids?"
J. Phys. Chem. B 2017, 121 (17), 4521–4529.     (DOI 10.1021/acs.jpcb.7b00631 ) ⭳ Bib
Uses TRAVIS for RDF,
Aggr
.

— 2016 —

12 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
.
11 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 —

10 D. Czurlok, M. von Domaros, M. Thomas, J. Gleim, J. Lindner, B. Kirchner, P. Vöhringer:
"Femtosecond 2DIR Spectroscopy of the Nitrile Stretching Vibration of Thiocyanate Anions in Liquid-to-Supercritical Heavy Water. Spectral Diffusion and Libration-Induced Hydrogen-Bond Dynamics"
Phys. Chem. Chem. Phys. 2015, 17 (44), 29776–29785.     (DOI 10.1039/C5CP05237H ) ⭳ Bib
Uses TRAVIS for
Aggr
, Power.
9 S. A. Pylaeva, C. Allolio, B. Koeppe, G. S. Denisov, H.-H. Limbach, D. Sebastiani, P. M. Tolstoy:
"Proton Transfer in a Short Hydrogen Bond Caused by Solvation Shell Fluctuations: An ab initio MD and NMR/UV Study of an (OHO)-Bonded System"
Phys. Chem. Chem. Phys. 2015, 17 (6), 4634–4644.     (DOI 10.1039/C4CP04727C ) ⭳ Bib
Uses TRAVIS for CDF,
Aggr
.
8 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
.
7 B. Kirchner, F. Malberg, D. S. Firaha, O. Hollóczki:
"Ion Pairing in Ionic Liquids"
J. Phys.: Condens. Matter 2015, 27 (46), 463002.     (DOI 10.1088/0953-8984/27/46/463002 ) ⭳ Bib
Uses TRAVIS for RDF,
Aggr
, MSD.

— 2014 —

6 A. Stark, M. Brehm, M. Brüssel, S. B. C. Lehmann, A. S. Pensado, M. Schöppke, B. Kirchner:
"A Theoretical and Experimental Chemist’s Joint View on Hydrogen Bonding in Ionic Liquids and Their Binary Mixtures"
Top. Curr. Chem. 2014, 351, 149–187.     (DOI 10.1007/128_2013_485 ) ⭳ Bib
Uses TRAVIS for CDF,
Aggr
.

— 2013 —

5 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.
4 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 —

3 A. S. Pensado, M. Brehm, J. Thar, A. P. Seitsonen, B. Kirchner:
"Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate"
ChemPhysChem 2012, 13 (7), 1845–1853.     (DOI 10.1002/cphc.201100917 ) ⭳ Bib
Uses TRAVIS for CDF,
Aggr
, MSD, Power.

— 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.

121 different authors contributed to the 44 articles shown above.

Citations ↓ A–ZAuthor Name ↓ A–Z
14(show)Kirchner, B.
8(show)Brehm, M.
7(show)Gehrke, S.
7(show)Hollóczki, O.
5(show)Campetella, M.
5(show)Gontrani, L.
4(show)Sebastiani, D.
3(show)Caminiti, R.
3(show)Chattaraj, K. G.
3(show)Macchieraldo, R.
3(show)Paul, S.
3(show)Pensado, A. S.
2(show)D'Angelo, P.
2(show)Kohagen, M.
2(show)Macchiagodena, M.
2(show)Malberg, F.
2(show)Mallik, B. S.
2(show)Migliorati, V.
2(show)Pylaeva, S. A.
2(show)Reddy, T. D. N.
2(show)Thar, J.
2(show)von Domaros, M.
2(show)Zahn, S.
1(show)Agieienko, V.
1(show)Allolio, C.
1(show)Apostolidou, C.
1(show)Aquilanti, G.
1(show)Baker, G. A.
1(show)Balducci, A.
1(show)Barone, V.
1(show)Batchu, N. K.
1(show)Bencivenni, L.
1(show)Bernardino, K.
1(show)Binnemans, K.
1(show)Brüssel, M.
1(show)Buchner, R.
1(show)Capitani, F.
1(show)Cardini, G.
1(show)Clark, R.
1(show)Czurlok, D.
1(show)Dadmun, M.
1(show)Daniele, M.
1(show)Denisov, G. S.
1(show)Doherty, B. W.
1(show)Dokoohaki, M. H.
1(show)Dreßler, C.
1(show)Elfgen, R.
1(show)Esser, L.
1(show)Fasolato, C.
1(show)France-Lanord, A.
1(show)Gleim, J.
1(show)Grossman, J. C.
1(show)Gurkan, B.
1(show)Heitz, M. P.
1(show)Heroux, L.
1(show)Horinek, D.
1(show)Iacob, C.
1(show)Johnson, J. A.
1(show)Firaha, D. S.
1(show)Ghatee, M. H.
1(show)Giernoth, R.
1(show)Kapoor, U.
1(show)Kärger, J.
1(show)Koeppe, B.
1(show)Kremer, F.
1(show)Kumar, P.
1(show)Lehmann, S. B. C.
1(show)Leonelli, F.
1(show)Lima, T. A.
1(show)Limbach, H.-H.
1(show)Lindner, J.
1(show)Lingscheid, Y.
1(show)Long, Z.
1(show)Lupi, S.
1(show)Luzar, A.
1(show)Maginn, E. J.
1(show)Mancini, G.
1(show)Mariani, A.
1(show)Mathon, O.
1(show)Mohammadpour, F.
1(show)Moradi, M.
1(show)Müller-Plathe, F.
1(show)Naumov, S.
1(show)Olivi, L.
1(show)Pagliai, M.
1(show)Pascarelli, S.
1(show)Poe, D.
1(show)Postorino, P.
1(show)Prakash, P.
1(show)Ramya, K. R.
1(show)Ray, P.
1(show)Ribeiro, M. C. C.
1(show)Salma, U.
1(show)Sangoro, J.
1(show)Scarpellini, E.
1(show)Schmitz, K.
1(show)Schöppke, M.
1(show)Seitsonen, A. P.
1(show)Serva, A.
1(show)Shah, J. K.
1(show)Shao-Horn, Y.
1(show)Smarsly, B. M.
1(show)Smith, C. J.
1(show)Squire, H.
1(show)Stark, A.
1(show)Thomas, M.
1(show)Tolstoy, P. M.
1(show)Tuckerman, M. E.
1(show)Valiullin, R.
1(show)Venkatnathan, A.
1(show)Voepel, P.
1(show)Vöhringer, P.
1(show)Wagle, D. V.
1(show)Wang, Y.
1(show)Welton, T.
1(show)Xie, T.
1(show)Yadav, V. K.
1(show)Zhang, Y.
1(show)Zhao, W.
1(show)Zitolo, A.
1(show)Zolghadr, A. R.

— Journal List —

Go to Article List, go to Author List.

The 44 articles shown above were published in 21 different journals.

CitationsJournal Name
10(show)J. Phys. Chem. B
10(show)Phys. Chem. Chem. Phys.
4(show)J. Chem. Phys.
2(show)Chem. Phys. Lett.
2(show)RSC Adv.
1(show)ACS Omega
1(show)Chem. Eur. J
1(show)Chem. Mater.
1(show)ChemPhysChem
1(show)Comput. Theor. Chem.
1(show)Faraday Discuss.
1(show)Ind. Eng. Chem. Res.
1(show)Int. J. Quantum Chem.
1(show)J. Chem. Eng. Data
1(show)J. Chem. Inf. Model.
1(show)J. Mol. Liq.
1(show)J. Phys.: Condens. Matter
1(show)Mol. Phys.
1(show)Sci. Rep.
1(show)Soft Matter
1(show)Top. Curr. Chem.

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