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Journal of Chemical Theory and Computation
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December 3, 2015
The Origin of Layer Structure Artifacts in Simulations of Liquid Water
David van der Spoel, Paul J van Maaren
Journal of Chemical Theory and Computation
|
December 20, 2025
Correction to "Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases"
Kristian Kříž, Paul J van Maaren, David van der Spoel
Journal of Chemical Theory and Computation
|
March 13, 2024
Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases
Kristian Kříž, Paul J van Maaren, David van der Spoel
Bioinformatics (Oxford, England)
|
January 13, 2012
GROMACS molecule & liquid database
David van der Spoel, Paul J van Maaren, Carl Caleman
Scientific Data
|
April 11, 2018
The Alexandria library, a quantum-chemical database of molecular properties for force field development
Mohammad M Ghahremanpour, Paul J van Maaren, David van der Spoel
The Journal of Physical Chemistry. B
|
March 3, 2006
Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media
David van der Spoel, Paul J van Maaren, Per Larsson, et al.
Journal of Chemical Theory and Computation
|
October 10, 2018
Phase-Transferable Force Field for Alkali Halides
Marie-Madeleine Walz, Mohammad M Ghahremanpour, Paul J van Maaren, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions
Nina M Fischer, Paul J van Maaren, Jonas C Ditz, et al.
The Journal of Chemical Physics
|
September 3, 2020
A potential for molecular simulation of compounds with linear moieties
David van der Spoel, Henning Henschel, Paul J van Maaren, et al.
Journal of Chemical Theory and Computation
|
October 4, 2018
Polarizable Drude Model with s-Type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields
Mohammad Mehdi Ghahremanpour, Paul J van Maaren, Carl Caleman, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 3, 2015
The Origin of Layer Structure Artifacts in Simulations of Liquid Water
David van der Spoel, Paul J van Maaren
Journal of Chemical Theory and Computation
|
December 20, 2025
Correction to "Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases"
Kristian Kříž, Paul J van Maaren, David van der Spoel
Journal of Chemical Theory and Computation
|
March 13, 2024
Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases
Kristian Kříž, Paul J van Maaren, David van der Spoel
Bioinformatics (Oxford, England)
|
January 13, 2012
GROMACS molecule & liquid database
David van der Spoel, Paul J van Maaren, Carl Caleman
Scientific Data
|
April 11, 2018
The Alexandria library, a quantum-chemical database of molecular properties for force field development
Mohammad M Ghahremanpour, Paul J van Maaren, David van der Spoel
The Journal of Physical Chemistry. B
|
March 3, 2006
Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media
David van der Spoel, Paul J van Maaren, Per Larsson, et al.
Journal of Chemical Theory and Computation
|
October 10, 2018
Phase-Transferable Force Field for Alkali Halides
Marie-Madeleine Walz, Mohammad M Ghahremanpour, Paul J van Maaren, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions
Nina M Fischer, Paul J van Maaren, Jonas C Ditz, et al.
The Journal of Chemical Physics
|
September 3, 2020
A potential for molecular simulation of compounds with linear moieties
David van der Spoel, Henning Henschel, Paul J van Maaren, et al.
Journal of Chemical Theory and Computation
|
October 4, 2018
Polarizable Drude Model with s-Type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields
Mohammad Mehdi Ghahremanpour, Paul J van Maaren, Carl Caleman, et al.
Page
of 2