Publikationen | Forschungsgruppe Makromolekulare Therapeutika Prof. Dr. Lutz Nuhn

Publikationen von Nico F. A. van der Vegt

Zeitschriftenartikel (57)

1.
Zeitschriftenartikel
Chen, L. Q.; Li, C. L.; van der Vegt, N. F. A.; Auernhammer, G. K.; Bonaccurso, E.: Initial Electrospreading of Aqueous Electrolyte Drops. Physical Review Letters 110 (2), 026103 (2013)
2.
Zeitschriftenartikel
Shen, J.-W.; Li, C. L.; van der Vegt, N. F. A.; Peter, C.: Understanding the Control of Mineralization by Polyelectrolyte Additives: Simulation of Preferential Binding to Calcite Surfaces. Journal of Physical Chemistry C 117 (13), S. 6904 - 6913 (2013)
3.
Zeitschriftenartikel
Ganguly, P.; Mukherji, D.; Junghans, C.; van der Vegt, N. F. A.: Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions. Journal of Chemical Theory and Computation 8 (5), S. 1802 - 1807 (2012)
4.
Zeitschriftenartikel
Johnston, K.; Herbers, C. R.; van der Vegt, N. F. A.: Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability. Journal of Physical Chemistry C 116 (37), S. 19781 - 19788 (2012)
5.
Zeitschriftenartikel
Li, C. L.; Shen, J. W.; Peter, C.; van der Vegt, N. F. A.: A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions. Macromolecules 45 (5), S. 2551 - 2561 (2012)
6.
Zeitschriftenartikel
Marcon, V.; Fritz, D.; van der Vegt, N. F. A.: Hierarchical modelling of polystyrene surfaces. Soft Matter 8 (20), S. 5585 - 5594 (2012)
7.
Zeitschriftenartikel
Mukherji, D.; van der Vegt, N. F. A.; Kremer, K.: Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach. Journal of Chemical Theory and Computation 8 (10), S. 3536 - 3541 (2012)
8.
Zeitschriftenartikel
Mukherji, D.; van der Vegt, N. F. A.; Kremer, K.; Delle Site, L.: Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation. Journal of Chemical Theory and Computation 8 (2), S. 375 - 379 (2012)
9.
Zeitschriftenartikel
Fritz, D.; Koschke, K.; Harmandaris, V. A.; van der Vegt, N. F. A.; Kremer, K.: Multiscale modeling of soft matter: scaling of dynamics. Physical Chemistry Chemical Physics 13 (22), S. 10412 - 10420 (2011)
10.
Zeitschriftenartikel
Herbers, C. R.; Johnston, K.; van der Vegt, N. F. A.: Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics 13 (22), S. 10577 - 10583 (2011)
11.
Zeitschriftenartikel
Shen, J. W.; Li, C. L.; van der Vegt, N. F. A.; Peter, C.: Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions. Journal of Chemical Theory and Computation 7 (6), S. 1916 - 1927 (2011)
12.
Zeitschriftenartikel
Neyertz, S.; Brown, D.; Pandiyan, S.; van der Vegt, N. F. A.: Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides. Macromolecules 43 (18), S. 7813 - 7827 (2010)
13.
Zeitschriftenartikel
Pandiyan, S.; Brown, D.; Neyertz, S.; van der Vegt, N. F. A.: Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations. Macromolecules 43 (5), S. 2605 - 2621 (2010)
14.
Zeitschriftenartikel
Villa, A.; Peter, C.; van der Vegt, N. F. A.: Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water. Journal of Chemical Theory and Computation 6 (8), S. 2434 - 2444 (2010)
15.
Zeitschriftenartikel
Fritz, D.; Harmandaris, V. A.; Kremer, K.; van der Vegt, N. F. A.: Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities. Macromolecules 42 (19), S. 7579 - 7588 (2009)
16.
Zeitschriftenartikel
Fritz, D.; Herbers, C. R.; Kremer, K.; van der Vegt, N. F. A.: Hierarchical modeling of polymer permeation. Soft Matter 5 (22), S. 4556 - 4563 (2009)
17.
Zeitschriftenartikel
Hess, B.; Harings, J. A. W.; Rastogi, S.; van der Vegt, N. F. A.: Interaction of Water with N,N '-1,2-Ethanediyl-bis(6-hydroxy-hexanamide) Crystals: A Simulation Study. Journal of Physical Chemistry B 113 (3), S. 627 - 631 (2009)
18.
Zeitschriftenartikel
Hess, B.; van der Vegt, N. F. A.: Cation specific binding with protein surface charges. Proceedings of the National Academy of Sciences of the United States of America 106 (32), S. 13296 - 13300 (2009)
19.
Zeitschriftenartikel
Mulder, T.; Harmandaris, V. A.; Lyuin, A. V.; van der Vegt, N. F. A.; Kremer, K.; Michels, M. A. J.: Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation. Macromolecules 42 (1), S. 384 - 391 (2009)
20.
Zeitschriftenartikel
Pandiyan, S.; Brown, D.; van der Vegt, N. F. A.; Neyertz, S.: Atomistic Models of Three Fluorinated Polyimides in the Amorphous State. Journal of Polymer Science Part B-Polymer Physics 47 (12), S. 1166 - 1180 (2009)
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