Artikel

Perez-Macia, M. A. ; Curco, D. ; Bringue, R. ; Iborra, M. ; Rodriguez-Ropero, F. ; Vegt, N. F. A. van der ; Aleman, Carlos (2015)
1-Butanol absorption in poly(styrene-divinylbenzene) ion exchange resins for catalysis.
In: Soft Matter, 11 (47)
Artikel, Bibliographie

Brini, E. ; Vegt, N. F. A. van der (2012)
Chemically transferable coarse-grained potentials from conditional reversible work calculations.
In: The Journal of chemical physics, 137
Artikel, Bibliographie

Brini, E. ; Vegt, N. F. A. van der (2012)
Chemically transferable coarse-grained potentials from conditional reversible work calculations.
In: The Journal of Chemical Physics, 137 (15)
doi: 10.1063/1.4758936
Artikel, Bibliographie

Chen, S. ; Huang, X. ; Vegt, N. F. A. van der ; Wen, W. ; Sheng, P. (2010)
Giant Electrorheological Effect: A Microscopic Mechanism.
In: Phys. Rev. Lett., 105
doi: 10.1103/PhysRevLett.105.046001
Artikel, Bibliographie

Vegt, N. F. A. van der ; Kusuma, V. A. ; Freeman, B. D. (2010)
Basis of Solubility versus TC Correlations in Polymeric Gas Separation Membranes.
In: Macromolecules, 43 (3)
doi: 10.1021/ma9024653
Artikel, Bibliographie

Neyertz, S. ; Brown, D. ; Pandiyan, S. ; Vegt, N. F. A. van der (2010)
Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides.
In: Macromolecules, 43
doi: 10.1021/ma1010205
Artikel, Bibliographie

Pandiyan, S. ; Brown, D. ; Neyertz, S. ; Vegt, N. F. A. van der (2010)
Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations.
In: Macromolecules, 43
doi: 10.1021/ma902507d
Artikel, Bibliographie

Peter, C. ; Villa, A. ; Vegt, N. F. A. van der (2010)
Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water.
In: J. Chem. Theory Comput., 6
doi: 10.1021/ct100228t
Artikel, Bibliographie

Pandiyan, S. ; Brown, D. ; Vegt, N. F. A. van der ; Neyertz, S. (2009)
Atomistic models of three fluorinated polyimides in the amorphous state.
In: Journal of Polymer Science Part B: Polymer Physics, 47 (12)
doi: 10.1002/polb.21717
Artikel, Bibliographie

Hess, B. ; Vegt, N. F. A. van der (2009)
Cation specific binding with protein surface charges.
In: Proc. Natl. Acad. Sci. USA, (106)
doi: 10.1073/pnas.0902904106
Artikel, Bibliographie

Fritz, D. ; Harmandaris, V. A. ; Kremer, K. ; Vegt, N. F. A. van der (2009)
Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities.
In: Macromolecules, 42 (19)
doi: 10.1021/ma901242h
Artikel, Bibliographie

Fritz, D. ; Herbers, C. R. ; Kremer, K. ; Vegt, N. F. A. van der (2009)
Hierarchical modeling of polymer permeation.
In: Soft Matter, 5 (22)
doi: 10.1039/b911713j
Artikel, Bibliographie

Villa, A. ; Peter, C. ; Vegt, N. F. A. van der (2009)
Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.
In: Physical Chemistry Chemical Physics, 11 (12)
doi: 10.1039/b818144f
Artikel, Bibliographie

Villa, A. ; Vegt, N. F. A. van der ; Peter, C. (2009)
Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model.
In: Phys.Chem.Chem.Phys., 11
doi: 10.1039/b818144f
Artikel, Bibliographie

Mulder, T. ; Harmandaris, V. A. ; Lyulin, A. V. ; Vegt, N. F. A. van der ; Kremer, K. ; Michels, M. A. J. (2009)
Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation.
In: Macromolecules, 42 (1)
doi: 10.1021/ma800873z
Artikel, Bibliographie

Ghiringhelli, L. M. ; Hess, B. ; Vegt, N. F. A. van der ; Delle Site, L. (2008)
Competing Adsorption between Hydrated Peptides and Water onto Metal Surfaces: From Electronic to Conformational Properties.
In: Journal of the American Chemical Society, 130 (40)
doi: 10.1021/ja804350v
Artikel, Bibliographie

Mulder, T. ; Harmandaris, V. A. ; Lyulin, A. V. ; Vegt, N. F. A. van der ; Vorselaars, B. ; Michels, M. A. J. (2008)
Equilibration and deformation of amorphous polystyrene: scale-jumping simulation approach.
In: Macromol. Theory Sim., (17)
doi: 10.1002/mats.200800015
Artikel, Bibliographie

Hess, B. ; Peter, C. ; Ozal, T. ; Vegt, N. F. A. van der (2008)
Fast Growth Thermodynamic Integration: Calculating Excess Chemical Potentials of Additive Molecules in Polymer Microstructures.
In: Macromolecules, (41)
doi: 10.1021/ma702070n
Artikel, Bibliographie

Ozal, T. A. ; Peter, C. ; Hess, B. ; Vegt, N. F. A. van der (2008)
Modeling Solubilities of Additives in Polymer Microstructures: Single-Step Perturbation Method Based on a Soft-Cavity Reference State.
In: Macromolecules, 41 (13)
doi: 10.1021/ma702329q
Artikel, Bibliographie

Mulder, T. ; Harmandaris, V. A. ; Lyulin, A. V. ; Vegt, N. F. A. van der ; Michels, M. A. J. (2008)
Molecular simulation via connectivity-altering Monte Carlo and scale-jumping methods: application to amorphous polystyrene.
In: Macromol. Theory Sim., (17)
doi: 10.1002/mats.200800024
Artikel, Bibliographie

Hess, B. ; Vegt, N. F. A. van der (2008)
Predictive Modeling of Phenol Chemical Potentials in Molten Bisphenol A−Polycarbonate over a Broad Temperature Range.
In: Macromolecules, 41 (20)
doi: 10.1021/ma8015486
Artikel, Bibliographie

Ozal, T. A. ; Peter, C. ; Hess, B. ; Vegt, N. F. A. van der (2008)
Solubilities of Additives in Polymer Microstructures: Single Step Perturbation Method based on a Soft Cavity Reference State.
In: Macromolecules, (41)
doi: 10.1021/ma702329q
Artikel, Bibliographie

Trzesniak, D. ; Vegt, N. F. A. van der ; Gunsteren, W. F. van (2007)
Analysis of neo-Pentane-Urea Potentials of Mean Force in Aqueous Urea.
In: Mol. Phys., (105)
doi: 10.1080/00268970601126742
Artikel, Bibliographie

Harmandaris, V. A. ; Reith, D. ; Vegt, N. F. A. van der ; Kremer, K. (2007)
Comparison between Coarse-Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene.
In: Macromol. Chem. Phys., (208)
doi: 10.1002/macp.200700245
Artikel, Bibliographie

Harmandaris, V. A. ; Adhikari, N. P. ; Vegt, N. F. A. van der ; Kremer, K. ; Mann, B. A. ; Voelkel, R. ; Weiss, H. ; Liew, C. (2007)
Ethylbenzene Diffusion in Polystyrene: Atomistic/Coarse Grained Simulations and Experiments.
In: Macromolecules, (40)
doi: 10.1021/ma070201o
Artikel, Bibliographie

Schravendijk, P. ; Ghiringhelli, L. M. ; Delle Site, L. ; Vegt, N. F. A. van der (2007)
Interaction of Hydrated Amino Acids with Metal Surfaces: A Multiscale Modeling Description.
In: Journal of Physical Chemistry C, 111 (6)
doi: 10.1021/jp065568u
Artikel, Bibliographie

Lee, M.-E. ; Vegt, N. F. A. van der (2007)
Molecular Thermodynamics of Methane Solvation in tert-Butanol-Water Mixtures.
In: J. Chem. Theory Comput., (3)
doi: 10.1021/ct600226h
Artikel, Bibliographie

Peter, C. ; Vegt, N. F. A. van der (2007)
Solvent Reorganization Contributions in Solute Transfer Thermodynamics: Inferences from the Solvent Equation of State.
In: The Journal of Physical Chemistry B, 111 (27)
doi: 10.1021/jp0712708
Artikel, Bibliographie

Hess, B. ; Vegt, N. F. A. van der (2007)
Solvent-Averaged Potentials for Alkali-, Earth Alkali- and Alkylammonium Halide Aqueous Solutions.
In: J. Chem. Phys., (127)
doi: 10.1063/1.2812547
Artikel, Bibliographie

Gunsteren, W. F. van ; Bakowies, D. ; Baron, R. ; Chandrasekhar, I. ; Christen, M. ; Daura, X. ; Gee, P. ; Geerke, D. P. ; Glättli, A. ; Hünenberger, Ph. H. ; Kastenholz, M. A. ; Oostenbrink, C. ; Schenk, M. ; Trzesniak, D. ; Vegt, N. F. A. van der ; Yu, H. B. (2006)
Biomolecular Modeling: Goals, Problems, Perspectives.
In: Angewandte Chemie International Edition, 45 (25)
doi: 10.1002/anie.200502655
Artikel, Bibliographie

Gunsteren, W. F. van ; Bakowies, D. ; Baron, R. ; Chandrasekhar, I. ; Christen, M. ; Daura, X. ; Gee, P. ; Geerke, D. P. ; Glaettli, A. ; Huenenberger, P. H. ; Kastenholz, M. A. ; Oostenbrink, C. ; Schenk, M. ; Trzesniak, D. ; Vegt, N. F. A. van der ; Yu, H. B. (2006)
Biomolecular modelling: goals, problems, perspectives.
In: Angewandte Chemie Int. Ed., (45)
doi: 10.1002/anie.200502655
Artikel, Bibliographie

Ozal, T. A. ; Vegt, N. F. A. van der (2006)
Confusing Cause and Effect: Energy-Entropy Compensation in the Preferential Solvation of a Nonpolar Solute in Dimethyl Sulfoxide/Water Mixtures.
In: J. Phys. Chem. B, (B 110)
doi: 10.1021/jp061608i
Artikel, Bibliographie

Özal, T. A. ; Vegt, N. F. A. van der (2006)
Confusing Cause and Effect: Energy−Entropy Compensation in the Preferential Solvation of a Nonpolar Solute in Dimethyl Sulfoxide/Water Mixtures.
In: The Journal of Physical Chemistry B, 110 (24)
doi: 10.1021/jp061608i
Artikel, Bibliographie

Lee, M. E. ; Vegt, N. F. A. van der (2006)
Does urea denature hydrophobic interactions?
In: J. Am. Chem. Soc., (128)
doi: 10.1021/ja058600r
Artikel, Bibliographie

Vegt, N. F. A. van der ; Lee, M.-E. ; Trzesniak, D. ; Gunsteren, W. F. van (2006)
Enthalpy-Entropy Compensation in the Effects of Urea on Hydrophobic Interactions.
In: J. Phys. Chem., (B 110)
doi: 10.1021/jp062426r
Artikel, Bibliographie

Harmandaris, V. A. ; Adhikari, N. P. ; Vegt, N. F. A. van der ; Kremer, K. (2006)
Hierarchical modeling of polystyrene: From atomistic to coarse grained simulations.
In: Macromolecules, (39)
doi: 10.1021/ma0606399
Artikel, Bibliographie

Hess, B. ; Vegt, N. F. A. van der (2006)
Hydration Thermodynamic Properties of Amino Acid Analogs: A Systematic Comparison of Biomolecular Force Fields and Water Models.
In: J. Phys. Chem., (B 110)
doi: 10.1021/jp0641029
Artikel, Bibliographie

Hess, B. ; Leon, S. ; Vegt, N. F. A. van der ; Kremer, K. (2006)
Long time atomistic trajectories from coarse grained simulations: Bisphenol-A Polycarbonate.
In: Soft Matter, (2)
doi: 10.1039/b602076c
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Modeling Multi-body Effects in Ionic Solutions With a Concentration Dependent Dielectric Permittivity.
In: Phys. Rev. Lett., (96)
doi: 10.1103/PhysRevLett.96.147801
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Modeling Multibody Effects in Ionic Solutions with a Concentration Dependent Dielectric Permittivity.
In: Physical Review Letters, 96 (14)
doi: 10.1103/PhysRevLett.96.147801
Artikel, Bibliographie

Marcon, V. ; Vegt, N. F. A. van der ; Wegner, G. ; Raos, G. (2006)
Modeling of molecular packing and conformation in oligofluorenes.
In: J. Phys. Chem., (B 110)
doi: 10.1021/jp056858y
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Osmotic coefficients of atomistic NaCl (aq) force fields.
In: The Journal of Chemical Physics, 124 (16)
doi: 10.1063/1.2185105
Artikel, Bibliographie

Hess, B. ; Holm, C. ; Vegt, N. F. A. van der (2006)
Osmotic coefficients of atomistic NaCl(aq) force fields.
In: J. Chem. Phys., (124)
doi: 10.1063/1.2185105
Artikel, Bibliographie

Barsema, J. N. ; Vegt, N. F. A. van der ; Koops, G. H. ; Wessling, M. (2005)
Ag-Functionalized Carbon Molecular-Sieve Membranes Based on Polyelectrolyte/Polyimide Blend Precursors.
In: Advanced Functional Materials, 15 (1)
doi: 10.1002/adfm.200305155
Artikel, Bibliographie

León, S. ; Vegt, N. F. A. van der ; Delle Site, L. ; Kremer, K. (2005)
Bisphenol A Polycarbonate: Entanglement Analysis from Coarse-Grained MD Simulations.
In: Macromolecules, 38 (19)
doi: 10.1021/ma050943m
Artikel, Bibliographie

Leon, S. ; Vegt, N. F. A. van der ; Delle Site, L. ; Kremer, K. (2005)
Bisphenol-A Polycarbonate: Entanglement analysis from coarse-grained MD simulations.
In: Macromolecules, (38)
doi: 10.1021/ma050943m
Artikel, Bibliographie

Schravendijk, P. ; Vegt, N. F. A. van der ; Delle Site, L. ; Kremer, K. (2005)
Dual scale modeling of benzene adsorption onto Ni(111) and Au(111) surfaces in explicit water.
In: ChemPhysChem, (6)
doi: 10.1002/cphc.200400591
Artikel, Bibliographie

Schravendijk, P. ; Vegt, N. F. A. van der (2005)
From Hydrophobic to Hydrophilic Solvation: An Application to Hydration of Benzene.
In: Journal of Chemical Theory and Computation, 1 (4)
doi: 10.1021/ct049841c
Artikel, Bibliographie

Lee, M. E. ; Vegt, N. F. A. van der (2005)
A new force field for atomistic simulations of aqueous tertiary butanol solutions.
In: J.Chem.Phys., (122)
doi: 10.1063/1.1862625
Artikel, Bibliographie

Trzesniak, D. ; Vegt, N. F. A. van der ; Gunsteren, W. F. van (2004)
Computer simulation studies on the solvation of aliphatic hydrocarbons in 6.9 M aqueous urea solution.
In: Phys.Chem.Chem.Phys., (6 (cor)
Artikel, Bibliographie

Geerke, D. P. ; Oostenbrink, C. ; Vegt, N. F. A. van der ; Gunsteren, W. F. van (2004)
An Effective Force Field for Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide-Water Mixtures.
In: J. Phys. Chem., (B 108)
doi: 10.1021/jp035034i
Artikel, Bibliographie

Vegt, N. F. A. van der ; Trzesniak, D. ; Kasumaj, B. ; Gunsteren, W. F. van (2004)
Energy-Entropy Compensation in the Transfer of Nonpolar Solutes from Water to Co-Solvent/Water Mixtures.
In: ChemPhysChem, (6, 5(c)
doi: 10.1002/cphc.200300918
Artikel, Bibliographie

Vegt, N. F. A. van der ; Trzesniak, D. ; Kasumaj, B. ; Gunsteren, W. F. van (2004)
Energy–Entropy Compensation in the Transfer of Nonpolar Solutes from Water to Cosolvent/Water Mixtures.
In: ChemPhysChem, 5 (1)
doi: 10.1002/cphc.200300918
Artikel, Bibliographie

Vegt, N. F. A. van der ; Gunsteren, W. F. van (2004)
Entropic Contributions in co-Solvent Binding to Hydrophobic Solutes in Water.
In: J. Phys. Chem., (B 108)
doi: 10.1021/jp030532c
Artikel, Bibliographie

Barsema, J. N. ; Kleinstra, S. D. ; Balster, J. H. ; Vegt, N. F. A. van der ; Koops, G. H. ; Wessling, M. (2004)
Intermediate polymer to carbon gas separation membranes based on Matrimid PI.
In: J. Membrane Sci., (238)
doi: 10.1016/j.memsci.2004.03.024
Artikel, Bibliographie

Sterescu, D. M. ; Bolhuis-Versteeg, L. ; Vegt, N. F. A. van der ; Stamatialis, D. F. ; Wessling, M. (2004)
Novel gas separation membranes containing covalently bonded fullerenes.
In: Macromol. Rapid Commun., (25)
doi: 10.1002/marc.200400296
Artikel, Bibliographie

Hermsen, G. F. ; Wessling, M. ; Vegt, N. F. A. van der (2004)
Polymer Intrusion into Narrow Pores at the Interface between a Poor Solvent and Adsorbing and Non-Adsorbing Surfaces.
In: Polymer, 45 (9)
doi: 10.1016/j.polymer.2004.02.063
Artikel, Bibliographie

Barsema, J. N. ; Balster, J. ; Jordan, V. ; Vegt, N. F. A. van der ; Wessling, M. (2003)
Functionalized Carbon Molecular Sieve membranes containing Ag-nanoclusters.
In: Journal of Membrane Science, 219 (1-2)
doi: 10.1016/S0376-7388(03)00176-5
Artikel, Bibliographie

Hermsen, G. F. ; Vegt, N. F. A. van der ; Wessling, M. (2003)
Monte Carlo Calculations of Polymer Adsorption at the Entrance of Cylindrical Pores in Flat Adsorbing Surfaces.
In: Soft Materials, 1 (3)
doi: 10.1081/SMTS-120026595
Artikel, Bibliographie

Barsema, J. N. ; Kapantaidakis, G. C. ; Vegt, N. F. A. van der ; Koops, G. H. ; Wessling, M. (2003)
Preparation and characterization of highly selective dense and hollow fiber asymmetric membranes based on BTDA-TDI/MDI co-polyimides.
In: J. Membrane Sci., (216)
Artikel, Bibliographie

Metz, S. J. ; Vegt, N. F. A. van der ; Mulder, M. H. V. ; Wessling, M. (2003)
Thermodynamics of Water Vapor Sorption in Poly(ethylene oxide) Poly(butylene terephthalate) Block Copolymers.
In: The Journal of Physical Chemistry B, 107 (49)
doi: 10.1021/jp035640d
Artikel, Bibliographie

Metz, S. J. ; Vegt, N. F. A. van der ; Mulder, M. H. V. ; Wessling, M. (2003)
Thermodynamics of water sorption in Poly (ethylene oxide) Poly (butylene terephthalate) block copolymers.
In: J. Phys. Chem., (B 107)
doi: 10.1021/jp035640d
Artikel, Bibliographie

Krause, B. ; Koops, G. H. ; Vegt, N. F. A. van der ; Wessling, M. ; Wübbenhorst, M. ; Turnhout, J. van (2002)
Ultralow-k dielectrics made by supercritical foaming of thin polymer films.
In: Advanced Materials, 14 (15)
doi: 10.1002/1521-4095(20020805)14:15<1041::AID-ADMA1041>3.0.CO;2-A
Artikel, Bibliographie

Wilhelm, F. G. ; Pünt, I. ; Vegt, N. F. A. van der ; Strathmann, H. ; Wessling, M. (2002)
Asymmetric bipolar membranes in acid-base electrodialysis.
In: Ind. Eng. Chem. Res., (41)
doi: 10.1021/ie010524n
Artikel, Bibliographie

Barsema, J. N. ; Vegt, N. F. A. van der ; Koops, G. H. ; Wessling, M. (2002)
Carbon molecular sieve membranes prepared from porous fiber precursor.
In: J. Membrane Sci., (205)
doi: 10.1016/S0376-7388(02)00117-5
Artikel, Bibliographie

Wilhelm, F. G. ; Pünt, I. G. M. ; Vegt, N. F. A. van der ; Strathmann, H. ; Wessling, M. (2002)
Cation permeable membranes from blends of sulfonated poly (ether ether ketone) and poly (ether sulfone).
In: J. Membrane Sci., (199)
doi: 10.1016/S0376-7388(01)00695-0
Artikel, Bibliographie

Wilhelm, F. G. ; Vegt, N. F. A. van der ; Strathmann, H. ; Wessling, M. (2002)
Comparison of bipolar membranes by means of chronopotentiometry.
In: J. Membrane Sci., (199)
doi: 10.1016/S0376-7388(01)00696-2
Artikel, Bibliographie

Hermsen, G. F. ; Geeter, B. A. de ; Vegt, N. F. A. van der ; Wessling, M. (2002)
Monte Carlo Simulation of Partially Confined Flexible Polymers.
In: Macromolecules, 35 (13)
doi: 10.1021/ma020176g
Artikel, Bibliographie

Krause, B. ; Vegt, N. F. A. van der ; Wessling, M. (2002)
New ways to produce porous polymeric membranes by carbon dioxide foaming.
In: Desalination, (144)
doi: 10.1016/S0011-9164(01)00280-1
Artikel, Bibliographie

Krause, B. ; Diekmann, K. ; Vegt, N. F. A. van der ; Wessling, M. (2002)
Open nanoporous morphologies from polymeric blends by carbon dioxide foaming.
In: Macromolecules, 35 (5)
doi: 10.1021/ma011672s
Artikel, Bibliographie

Krause, B. ; Kloth, M. ; Vegt, N. F. A. van der ; Wessling, M. (2002)
Porous Monofilaments by Continuous Solid-State Foaming.
In: Industrial & Engineering Chemistry Research, 41 (5)
doi: 10.1021/ie010655o
Artikel, Bibliographie

Vegt, N. F. A. van der (2002)
A molecular dynamics simulation study of solvation thermodynamical quantities of gases in polymeric solvents.
In: J. Membrane Sci., (205)
doi: 10.1016/S0376-7388(02)00071-6
Artikel, Bibliographie

Krause, B. ; Sijbesma, H. J. P. ; Münüklü, P. ; Vegt, N. F. A. van der ; Wessling, M. (2001)
Bicontinuous Nanoporous Polymers by Carbon Dioxide Foaming.
In: Macromolecules, 34 (25)
doi: 10.1021/ma010854j
Artikel, Bibliographie

Wilhelm, F. G. ; Vegt, N. F. A. van der ; Wessling, M. ; Strathmann, H. (2001)
Chronopotentiometry for advanced current-voltage characterization of bipolar membranes.
In: J. Electroanal. Chem., (502)
Artikel, Bibliographie

Krause, B. ; Mettinkhof, R. ; Vegt, N. F. A. van der ; Wessling, M. (2001)
Microcellular Foaming of Amorphous High-TgPolymers Using Carbon Dioxide.
In: Macromolecules, 34 (4)
doi: 10.1021/ma001291z
Artikel, Bibliographie

Krause, B. ; Mettinkhof, R. ; Vegt, N. F. A. van der ; Wessling, M. (2001)
Microcellular foaming of amorphous high-Tg polymers using carbon dioxide.
In: Macromolecules, (34)
Artikel, Bibliographie

Krause, B. ; Boerrigter, M. E. ; Vegt, N. F. A. van der ; Strathmann, H. ; Wessling, M. (2001)
Novel open-cellular polysulfone morphologies produced with trace concentrations of solvent as pore opener.
In: J. Membrane Sci., (187)
Artikel, Bibliographie

Wilhelm, F. G. ; Pünt, I. ; Vegt, N. F. A. van der ; Wessling, M. ; Strathmann, H. (2001)
Optimization strategies for the preparation of bipolar membranes with reduced salt ion leakage in acid-base electrodialysis.
In: J. Membrane Sci., (182)
Artikel, Bibliographie

Vegt, N. F. A. van der ; Müller-Plathe, F. ; Geleßus, A. ; Johannsmann, D. (2001)
Orientation of liquid crystal monolayers on polyimide alignment layers: a molecular dynamics simulation study.
In: J. Chem. Phys., (115)
Artikel, Bibliographie

Vegt, N. F. A. van der (2000)
Temperature dependence of gas transport in polymer melts: Molecular dynamics simulations of CO2 in polyethylene.
In: Macromolecules, (33)
Artikel, Bibliographie

Hoogenboom, J. P. ; Tepper, H. L. ; Vegt, N. F. A. van der ; Briels, W. J. (2000)
Transport diffusion of argon in AlPO4-5 from equilibrium molecular dynamics simulations.
In: J. Chem. Phys., (113)
Artikel, Bibliographie

Tepper, H. L. ; Hoogenboom, J. P. ; Vegt, N. F. A. van der ; Briels, W. J. (1999)
Unidirectional diffusion of methane in AlPO4-5.
In: J. Chem. Phys., (110)
Artikel, Bibliographie

Vegt, N. F. A. van der ; Briels, W. J. ; Wessling, M. ; Strathmann, H. (1999)
The sorption induced glass transition in amorphous glassy polymers.
In: J. Chem. Phys., (110)
Artikel, Bibliographie

Vegt, N. F. A. van der ; Briels, W. J. (1998)
Efficient sampling of solvent free energies in polymers.
In: J. Chem. Phys., (109)
Artikel, Bibliographie

Vegt, N. F. A. van der ; Briels, W. J. ; Wessling, M. ; Strathmann, H. (1998)
A nonequilibrium simulation method for calculating tracer diffusion coefficients of small solutes in n-alkane liquids and polymers.
In: J. Chem. Phys., (108)
Artikel, Bibliographie

Vegt, N. F. A. van der ; Briels, W. J. ; Wessling, M. ; Strathmann, H. (1996)
Free energy calculations of small molecules in dense amorphous polymers. Effect of initial guess configuration in molecular dynamics studies.
In: J. Chem. Phys., (105)
Artikel, Bibliographie

Vegt, N. F. A. van der ; Briels, W. J. ; Wessling, M. ; Strathmann, H. (1996)
Molecular dynamics simulations of polymer melts – The effect of structure generation on gas solubilities.
In: J. Mol. Graph., (14)
Artikel, Bibliographie

Buchkapitel

Vegt, N. F. A. van der ; Peter, C. ; Kremer, K. (2008)
Structure-based coarse- and fine-graining in soft matter simulations.
In: Coarse Graining of Condensed Phase and Biomolecular Systems. - Gregory A. Voth, ed. , chapter 25
Buchkapitel, Bibliographie

Gunsteren, W. F. van ; Geerke, D. P. ; Oostenbrink, C. ; Trzesniak, D. ; Vegt, N. F. A. van der (2007)
Analysis of driving forces for biomolecular solvation and association.
In: "Protein Folding and Drug Design", Proceedings of the International School of Physics "Enrico Fermi" (R.A. Broglia and G. Tiana, eds.)
Buchkapitel, Bibliographie

Vegt, N. F. A. van der
Hrsg.: Pinnau, I. ; Freeman, B. D. (2004)
New perspectives on gas sorption in solution-diffusion membranes, in Advanced Materials for Membrane Separations – Chapter 3.
In: ACS Symposium Series 876
Buchkapitel, Bibliographie

Wilhelm, F. G. ; Vegt, N. F. A. van der ; Wessling, M. ; Strathmann, H.
Hrsg.: Kemperman, Ed. A. J. B. (2000)
Bipolar membrane preparation.
In: Handbook on Bipolar Membrane Technology, Chapter 4
Buchkapitel, Bibliographie

Konferenzveröffentlichung

Vegt, N. F. A. van der (2001)
Molecular dissolution processes in rubbery and glassy polymeric Solvents: A molecular dynamics simulation study.
Konferenzveröffentlichung, Bibliographie