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van Maaren, Paul J.
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Online (57)
Mediatypes
Articles (Online) (26)
OpenAccess-fulltext (31)
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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/..
?
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/..
?
3
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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4
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/..
?
5
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/..
?
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/..
?
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/..
?
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 of the United States of America. 108 (2011) 17 - p. 6838-6842 , 2011
Link:
https://www.jstor.org/st..
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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. 108 (2011) 17 - p. 6838-6842 , 2011
Link:
https://doi.org/10.1073/..
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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/..
?
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/..
?
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/..
1-15