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Gabriela Guevara Carrion
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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
2312011
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
1372008
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
1282011
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
1042016
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
852017
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
832014
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
822013
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
392021
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
392016
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
362019
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
352015
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
332017
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
322012
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
312018
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
252012
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
212020
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
192021
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
172018
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
142012
Multiscale molecular methods in applied chemistry
G Guevara-Carrion, H Hasse, J Vrabec
Springer-Verlag Berlin, 2012
102012
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Articles 1–20