Publications of Nico F. A. van der Vegt

Journal Article (57)

2006
Journal Article
Lee, M. E.; van der Vegt, N. F. A.: Does urea denature hydrophobic interactions? Journal of the American Chemical Society 128 (15), pp. 4948 - 4949 (2006)
Journal Article
Marcon, V.; van der Vegt, N.; Wegner, G.; Raos, G.: Modeling of molecular packing and conformation in oligofluorenes. The Journal of Physical Chemistry B 110 (11), pp. 5253 - 5261 (2006)
Journal Article
Özal, T. A.; van der Vegt, N. F. A.: Confusing cause and effect: Energy-entropy compensation in the preferential solvation of a nonpolar solute in dimethyl sulfoxide/water mixtures. The Journal of Physical Chemistry B 110 (24), pp. 12104 - 12112 (2006)
Journal Article
van der Vegt, N. F. A.; Lee, M. E.; Trzesniak, D.; van Gunsteren, W. F.: Enthalpy-entropy compensation in the effects of urea on hydrophobic interactions. The Journal of Physical Chemistry B 110 (26), pp. 12852 - 12855 (2006)
Journal Article
van Gunsteren, W. F.; Bakowies, D.; Baron, R.; Chandrasekhar, I.; Christen, M.; Daura, X.; Gee, P.; Geerke, D. P.; Glättli, A.; Hünenberger, P. H. et al.; Kastenholz, M. A.; Ostenbrink, C.; Schenk, M.; Trzesniak, D.; van der Vegt, N. F. A.; Yu, H. B.: Biomolecular modeling: Goals, problems, perspectives. Angewandte Chemie International Edition 45 (25), pp. 4064 - 4092 (2006)
2005
Journal Article
Barsema, J. N.; van der Vegt, N. F. A.; Koops, G. H.; Wessling, M.: Ag-functionalized carbon molecular-sieve membranes based on polyelectrolyte/polyimide blend precursors. Advanced Functional Materials 15 (1), pp. 69 - 75 (2005)
Journal Article
Lee, M. E.; van der Vegt, N. F. A.: A new force field for atomistic simulations of aqueous tertiary butanol solutions. The Journal of Chemical Physics 122 (11), 114509 (2005)
Journal Article
Leon, S.; van der Vegt, N.; Delle Site, L.; Kremer, K.: Bisphenol A polycarbonate: Entanglement analysis from coarse-grained MD simulations. Macromolecules 38 (19), pp. 8078 - 8092 (2005)
Journal Article
Oostenbrink, C.; Soares, T. A.; van der Vegt, N. F. A.; van Gunsteren, W. F.: Validation of the 53A6 GROMOS force field. European Biophysics Journal with Biophysics Letters 34 (4), pp. 273 - 284 (2005)
Journal Article
Schravendijk, P.; van der Vegt, N. F. A.: From hydrophobic to hydrophilic solvation: An application to hydration of benzene. Journal of Chemical Theory and Computation 1 (4), pp. 643 - 652 (2005)
Journal Article
Schravendijk, P.; van der Vegt, N.; Delle Site, L.; Kremer, K.: Dual-scale modeling of benzene adsorption onto Ni(111) and Au(111) surfaces in explicit water. ChemPhysChem 6 (9), pp. 1866 - 1871 (2005)
2004
Journal Article
van der Vegt, N. F. A.; van Gunsteren, W. F.: Entropic contributions in cosolvent binding to hydrophobic solutes in water. The Journal of Physical Chemistry B 108 (3), pp. 1056 - 1064 (2004)
Journal Article
Barsema, J. N.; Klijnstra, S. D.; Balster, J. H.; van der Vegt, N. F. A.; Koops, G. H.; Wessling, M.: Intermediate polymer to carbon gas separation membranes based on Matrimid PI. Journal of Membrane Science 238 (1-2), pp. 93 - 102 (2004)
Journal Article
Geerke, D. P.; Oostenbrink, C.; van der Vegt, N. F. A.; van Gunsteren, W. F.: An effective force field for molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixtures. The Journal of Physical Chemistry B 108 (4), pp. 1436 - 1445 (2004)
Journal Article
Hermsen, G. F.; Wessling, M.; van der Vegt, N. F. A.: Polymer intrusion into narrow pores at the interface between a poor solvent and adsorbing and non-adsorbing surfaces. Polymer 45 (9), pp. 3027 - 3036 (2004)
Journal Article
Trzesniak, D.; van der Vegt, N. F. A.; van Gunsteren, W. F.: Computer simulation studies on the solvation of aliphatic hydrocarbons in 6.9 M aqueous urea solution. Physical Chemistry Chemical Physics 6 (4), pp. 697 - 702 (2004)
2003
Journal Article
Metz, S. J.; van der Vegt, N. F. A.; Mulder, M. H. V.; Wessling, M.: Thermodynamics of water vapor sorption in poly(ethylene oxide) poly(butylene terephthalate) block copolymers. The Journal of Physical Chemistry B 107 (49), pp. 13629 - 13635 (2003)

Book Chapter (1)

2008
Book Chapter
van der Vegt, N. F. A.; Peter, C.; Kremer, K.: Structure-Based Coarse- and Fine-Graining in Soft Matter Simulations. In: Coarse-Graining of Condensed Phase and Biomolecular Systems, pp. 379 - 398 (Ed. Voth, G. A.). CRC Press, Taylor and Francis Group (2008)
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