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van Maaren, Paul J.
56  Ergebnisse:
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1

Impact of Combination Rules, Level of Theory, and Potential..:

Kříž, Kristian ; van Maaren, Paul J. ; van der Spoel, David
Journal of Chemical Theory and Computation.  20 (2024)  6 - p. 2362-2376 , 2024
Link: https://doi.org/10.1021/..
 
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2

A potential for molecular simulation of compounds with line..:

van der Spoel, David ; Henschel, Henning ; van Maaren, Paul J...
The Journal of Chemical Physics.  153 (2020)  8 - p. , 2020
Link: https://doi.org/10.1063/..
 
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3

The Alexandria library, a quantum-chemical database of mole..:

Ghahremanpour, Mohammad M. ; van Maaren, Paul J. ; van der Spoel, David
Scientific Data.  5 (2018)  1 - p. , 2018
Link: https://doi.org/10.1038/..
 
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4

Polarizable Drude Model with s-Type Gaussian or Slater Char..:

Ghahremanpour, Mohammad Mehdi ; van Maaren, Paul J. ; Caleman, Carl..
Journal of Chemical Theory and Computation.  14 (2018)  11 - p. 5553-5566 , 2018
Link: https://doi.org/10.1021/..
 
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5

Phase-Transferable Force Field for Alkali Halides:

Walz, Marie-Madeleine ; Ghahremanpour, Mohammad M. ; van Maaren, Paul J..
Journal of Chemical Theory and Computation.  14 (2018)  11 - p. 5933-5948 , 2018
Link: https://doi.org/10.1021/..
 
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6

Large-scale calculations of gas phase thermochemistry: Enth..:

Ghahremanpour, Mohammad M. ; van Maaren, Paul J. ; Ditz, Jonas C...
The Journal of Chemical Physics.  145 (2016)  11 - p. , 2016
Link: https://doi.org/10.1063/..
 
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7

Properties of Organic Liquids when Simulated with Long-Rang..:

Fischer, Nina M. ; van Maaren, Paul J. ; Ditz, Jonas C...
Journal of Chemical Theory and Computation.  11 (2015)  7 - p. 2938-2944 , 2015
Link: https://doi.org/10.1021/..
 
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8

Thermodynamics of hydronium and hydroxide surface solvation:

Hub, Jochen S. ; Wolf, Maarten G. ; Caleman, Carl...
Chemical Science.  5 (2014)  5 - p. 1745 , 2014
Link: https://doi.org/10.1039/..
 
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9

GROMACS molecule & liquid database:

van der Spoel, David ; van Maaren, Paul J. ; Caleman, Carl
Bioinformatics.  28 (2012)  5 - p. 752-753 , 2012
Link: https://doi.org/10.1093/..
 
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10

Force Field Benchmark of Organic Liquids: Density, Enthalpy..:

Caleman, Carl ; van Maaren, Paul J. ; Hong, Minyan...
Journal of Chemical Theory and Computation.  8 (2011)  1 - p. 61-74 , 2011
Link: https://doi.org/10.1021/..
 
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11

Atomistic simulation of ion solvation in water explains sur..:

Caleman, Carl ; Hub, Jochen S. ; van Maaren, Paul J..
Proceedings of the National Academy of Sciences.  108 (2011)  17 - p. 6838-6842 , 2011
Link: https://doi.org/10.1073/..
 
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12

Atomistic simulation of ion solvation in water explains sur..:

Caleman, Carl ; Hub, Jochen S. ; van Maaren, Paul J...
Proceedings of the National Academy of Sciences of the United States of America.  108 (2011)  17 - p. 6838-6842 , 2011
Link: https://www.jstor.org/st..
 
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13

Thermodynamics of Hydrogen Bonding in Hydrophilic and Hydro..:

van der Spoel, David ; van Maaren, Paul J. ; Larsson, Per.
The Journal of Physical Chemistry B.  110 (2006)  9 - p. 4393-4398 , 2006
Link: https://doi.org/10.1021/..
 
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14

The Origin of Layer Structure Artifacts in Simulations of L..:

van der Spoel, David ; van Maaren, Paul J.
Journal of Chemical Theory and Computation.  2 (2005)  1 - p. 1-11 , 2005
Link: https://doi.org/10.1021/..
 
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15

Dynamic properties of water/alcohol mixtures studied by com..:

Wensink, Erik J. W. ; Hoffmann, Alex C. ; van Maaren, Paul J..
The Journal of Chemical Physics.  119 (2003)  14 - p. 7308-7317 , 2003
Link: https://doi.org/10.1063/..
 
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