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The Journal of Physical Chemistry. B
|
February 21, 2019
Thermodynamically Consistent Force Field for Coarse-Grained Modeling of Aqueous Electrolyte Solution
Carlos Nieto-Draghi, Bernard Rousseau
The Journal of Physical Chemistry. B
|
March 29, 2007
Anisotropic united atom model including the electrostatic interactions of benzene
Patrick Bonnaud, Carlos Nieto-Draghi, Philippe Ungerer
The Journal of Chemical Physics
|
September 1, 2006
Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties
Carlos Nieto-Draghi, Philippe Ungerer, Bernard Rousseau
Molecular Informatics
|
November 5, 2019
Inverse-QSPR for de novo Design: A Review
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi
Journal of Chemical Information and Modeling
|
August 18, 2021
Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi
The Journal of Chemical Physics
|
April 20, 2005
Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics
Carlos Nieto-Draghi, Josep Bonet Avalos, Bernard Rousseau
The Journal of Chemical Physics
|
July 23, 2005
Transport coefficients and dynamic properties of hydrogen sulfide from molecular simulation
Carlos Nieto-Draghi, Allan D Mackie, Josep Bonet Avalos
Physical Review Letters
|
August 11, 2005
Histogram reweighting method for dynamic properties
Carlos Nieto-Draghi, Javier Pérez-Pellitero, Josep Bonet Avalos
The Journal of Physical Chemistry. B
|
April 28, 2010
Extension of a charged anisotropic united atoms model to polycyclic aromatic compounds
Benoit Creton, Theodorus de Bruin, Véronique Lachet, et al.
The Journal of Physical Chemistry. B
|
April 16, 2009
Prediction of transport properties by molecular simulation: methanol and ethanol and their mixture
Gabriela Guevara-Carrion, Carlos Nieto-Draghi, Jadran Vrabec, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
February 21, 2019
Thermodynamically Consistent Force Field for Coarse-Grained Modeling of Aqueous Electrolyte Solution
Carlos Nieto-Draghi, Bernard Rousseau
The Journal of Physical Chemistry. B
|
March 29, 2007
Anisotropic united atom model including the electrostatic interactions of benzene
Patrick Bonnaud, Carlos Nieto-Draghi, Philippe Ungerer
The Journal of Chemical Physics
|
September 1, 2006
Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties
Carlos Nieto-Draghi, Philippe Ungerer, Bernard Rousseau
Molecular Informatics
|
November 5, 2019
Inverse-QSPR for de novo Design: A Review
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi
Journal of Chemical Information and Modeling
|
August 18, 2021
Comparisons of Molecular Structure Generation Methods Based on Fragment Assemblies and Genetic Graphs
Philippe Gantzer, Benoit Creton, Carlos Nieto-Draghi
The Journal of Chemical Physics
|
April 20, 2005
Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics
Carlos Nieto-Draghi, Josep Bonet Avalos, Bernard Rousseau
The Journal of Chemical Physics
|
July 23, 2005
Transport coefficients and dynamic properties of hydrogen sulfide from molecular simulation
Carlos Nieto-Draghi, Allan D Mackie, Josep Bonet Avalos
Physical Review Letters
|
August 11, 2005
Histogram reweighting method for dynamic properties
Carlos Nieto-Draghi, Javier Pérez-Pellitero, Josep Bonet Avalos
The Journal of Physical Chemistry. B
|
April 28, 2010
Extension of a charged anisotropic united atoms model to polycyclic aromatic compounds
Benoit Creton, Theodorus de Bruin, Véronique Lachet, et al.
The Journal of Physical Chemistry. B
|
April 16, 2009
Prediction of transport properties by molecular simulation: methanol and ethanol and their mixture
Gabriela Guevara-Carrion, Carlos Nieto-Draghi, Jadran Vrabec, et al.
Page
of 3