| Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation G Guevara-Carrion, J Vrabec, H Hasse The Journal of chemical physics 134 (7), 2011 | 241 | 2011 |
| Prediction of transport properties by molecular simulation: methanol and ethanol and their mixture G Guevara-Carrion, C Nieto-Draghi, J Vrabec, H Hasse The Journal of Physical Chemistry B 112 (51), 16664-16674, 2008 | 143 | 2008 |
| ms2: A molecular simulation tool for thermodynamic properties S Deublein, B Eckl, J Stoll, SV Lishchuk, G Guevara-Carrion, CW Glass, ... Computer Physics Communications 182 (11), 2350-2367, 2011 | 139 | 2011 |
| Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride G Guevara-Carrion, T Janzen, YM Muñoz-Muñoz, J Vrabec The Journal of Chemical Physics 144 (12), 2016 | 110 | 2016 |
| ms2: A molecular simulation tool for thermodynamic properties, release 3.0 G Rutkai, A Köster, G Guevara-Carrion, T Janzen, M Schappals, ... Computer Physics Communications 221, 343-351, 2017 | 90 | 2017 |
| Mutual diffusion in the ternary mixture of water+ methanol+ ethanol and its binary subsystems S Par, G Guevara-Carrion, H Hasse, J Vrabec Physical Chemistry Chemical Physics 15 (11), 3985-4001, 2013 | 88 | 2013 |
| ms2: A molecular simulation tool for thermodynamic properties, new version release CW Glass, S Reiser, G Rutkai, S Deublein, A Köster, G Guevara-Carrion, ... Computer Physics Communications 185 (12), 3302-3306, 2014 | 86 | 2014 |
| ms2: A molecular simulation tool for thermodynamic properties, release 4.0 R Fingerhut, G Guevara-Carrion, I Nitzke, D Saric, J Marx, K Langenbach, ... Computer Physics Communications 262, 107860, 2021 | 50 | 2021 |
| Diffusion of methane in supercritical carbon dioxide across the Widom line G Guevara-Carrion, S Ancherbak, A Mialdun, J Vrabec, V Shevtsova Scientific reports 9 (1), 8466, 2019 | 41 | 2019 |
| Diffusion in multicomponent liquids: From microscopic to macroscopic scales G Guevara-Carrion, Y Gaponenko, T Janzen, J Vrabec, V Shevtsova The Journal of Physical Chemistry B 120 (47), 12193-12210, 2016 | 38 | 2016 |
| Mutual diffusion governed by kinetics and thermodynamics in the partially miscible mixture methanol+ cyclohexane T Janzen, S Zhang, A Mialdun, G Guevara-Carrion, J Vrabec, M He, ... Physical Chemistry Chemical Physics 19 (47), 31856-31873, 2017 | 36 | 2017 |
| Thermodynamic properties for applications in chemical industry via classical force fields G Guevara-Carrion, H Hasse, J Vrabec Multiscale molecular methods in applied chemistry, 201-249, 2012 | 36 | 2012 |
| Lennard-Jones force field parameters for cyclic alkanes from cyclopropane to cyclohexane YM Muñoz-Muñoz, G Guevara-Carrion, M Llano-Restrepo, J Vrabec Fluid Phase Equilibria 404, 150-160, 2015 | 33 | 2015 |
| Molecular insight into the liquid propan-2-ol+ water mixture YM Muñoz-Muñoz, G Guevara-Carrion, J Vrabec The Journal of Physical Chemistry B 122 (37), 8718-8729, 2018 | 31 | 2018 |
| Prediction of transport properties of liquid ammonia and its binary mixture with methanol by molecular simulation G Guevara-Carrion, J Vrabec, H Hasse International Journal of Thermophysics 33, 449-468, 2012 | 28 | 2012 |
| Fick diffusion coefficient matrix of a quaternary liquid mixture by molecular dynamics G Guevara-Carrion, R Fingerhut, J Vrabec The Journal of Physical Chemistry B 124 (22), 4527-4535, 2020 | 24 | 2020 |
| Diffusion of the carbon dioxide–ethanol mixture in the extended critical region RS Chatwell, G Guevara-Carrion, Y Gaponenko, V Shevtsova, J Vrabec Physical Chemistry Chemical Physics 23 (4), 3106-3115, 2021 | 23 | 2021 |
| Interplay of structure and diffusion in ternary liquid mixtures of benzene+ acetone+ varying alcohols G Guevara-Carrion, Y Gaponenko, A Mialdun, T Janzen, V Shevtsova, ... The Journal of Chemical Physics 149 (6), 2018 | 17 | 2018 |
| On the prediction of transport properties of monomethylamine, dimethylamine, dimethylether and hydrogen chloride by molecular simulation G Guevara-Carrion, J Vrabec, H Hasse Fluid phase equilibria 316, 46-54, 2012 | 15 | 2012 |
| Sampling the bulk viscosity of water with molecular dynamics simulation in the canonical ensemble R Hafner, G Guevara-Carrion, J Vrabec, P Klein The Journal of Physical Chemistry B 126 (48), 10172-10184, 2022 | 11 | 2022 |
