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Results: 72
Number of items: 72
  • Open Access
    Burtch, N. C., Torres-Knoop, A., Foo, G. S., Leisen, J., Sievers, C., Ensing, B., Dubbeldam, D., & Walton, K. S. (2015). Understanding DABCO Nanorotor Dynamics in Isostructural Metal-Organic Frameworks. The Journal of Physical Chemistry Letters, 6(5), 812-816. https://doi.org/10.1021/jz502653y
  • Costanzo, F., Ensing, B., Scipioni, R., Ancilotto, F., & Silvestrelli, P. L. (2014). Interaction of H2 with a Double-Walled Armchair Nanotube by First-Principles Calculations. The Journal of Physical Chemistry. C, 118(29), 15816-15824. https://doi.org/10.1021/jp503693q
  • Open Access
    van der Avoird, A., Podeszwa, R., Ensing, B., & Szalewicz, K. (2014). Comment on "Communication: Benzene dimer-The free energy landscape" [J. Chem. Phys. 139, 201102 (20130]. Journal of Chemical Physics, 140(22), 227101. https://doi.org/10.1063/1.4882015
  • Open Access
    Panman, M. R., Shaw, D. J., Ensing, B., & Woutersen, S. (2014). Local orientational order in liquids revealed by resonant vibrational energy transfer. Physical Review Letters, 113(20), 207801. https://doi.org/10.1103/PhysRevLett.113.207801
  • Open Access
    Kılıç, M. (2014). Molecular simulations in electrochemistry: Electron and proton transfer reactions mediated by flavins in different molecular environments. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Kiliç, M., & Ensing, B. (2014). Acidity constants of lumiflavin from first principles molecular dynamics simulations. Physical Chemistry Chemical Physics, 16(35), 18993-19000. https://doi.org/10.1039/c4cp01450b
  • Kılıç, M., & Ensing, B. (2013). First and second one-​electron reduction of lumiflavin in water - A first principles molecular dynamics study. Journal of Chemical Theory and Computation, 9(9), 3889-3899. https://doi.org/10.1021/ct400088g
  • Franssen, N. M. G., Ensing, B., Hegde, M., Dingemans, T. J., Norder, B., Picken, S. J., Alberda van Ekenstein, G. O. R., van Eck, E. R. H., Elemans, J. A. A. W., Vis, M., Reek, J. N. H., & de Bruin, B. (2013). On the "Tertiary Structure" of Poly-Carbenes; Self-Assembly of sp(3)-Carbon-Based Polymers into Liquid-Crystalline Aggregates. Chemistry - A European Journal, 19(35), 11577-11589. https://doi.org/10.1002/chem.201301403
  • Open Access
    Díaz Leines, G. (2013). Path-metadynamics: A computational study of conformational transitions in proteins. [Thesis, fully internal, Universiteit van Amsterdam].
  • Ensing, B., Costanzo, F., & Silvestrelli, P. L. (2012). On the polarity of buckminsterfullerene with a water molecule inside. The Journal of Physical Chemistry. A, 116(49), 12184-12188. https://doi.org/10.1021/jp311161q
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