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Results: 8,049
Number of items: 8,049
  • Open Access
    Buma, W. J., Groenen, E. J. J., & Schmidt, J. (1990). Ab initio calculations on the structure of pyridine in its lowest triplet state. Journal of the American Chemical Society, 112, 5447-5451. https://doi.org/10.1021/ja00170a007
  • Open Access
    Kohler, B. E., Song, K., & Buma, W. J. (1990). Location of the 2 1Ag state in hexatriene. Journal of Chemical Physics, 92(7), 4622-4623. https://doi.org/10.1063/1.458574
  • Open Access
    Mooij, G., de Leeuw, S. W., Williams, C. P., & Smit, B. (1990). Free energy computations of mixtures of Stockmayer and polerizable Lennard-Jones fluids. Molecular Physics, 71, 909. https://doi.org/10.1080/00268979000102211
  • Open Access
    Smit, B., Schlijper, A. G., Rupert, L. A. M., & van Os, N. M. (1990). Effects of chain length of surfactants on the interfacial tension: Molecular dynamics simulations and experiments. Journal of Physical Chemistry, 94(18), 6933-6935. https://doi.org/10.1021/j100381a003
  • Open Access
    Bakker, N. A. C., Wiering, P. G., Brouwer, A. M., Warman, J. M., & Verhoeven, J. W. (1990). Multistep photoinduced electron transfer in a photoacceptor terminated molecular triode. Molecular Crystals and Liquid Crystals, 183, 31-40.
  • Open Access
    de Leeuw, S. W., Smit, B., & Williams, C. P. (1990). Molecular dynamics studies of polar/nonpolar fluid mixtures: I. Mixtures of Lennard-Jones and Stockmayer fluids. Journal of Chemical Physics, 93(4), 2704-2714. https://doi.org/10.1063/1.458909
  • Open Access
    Smit, B., & Williams, C. P. (1990). Vapour-liquid equilibria for quadrupolar Lennard-Jones fluids. Journal of Physics-Condensed Matter, 2(18), 4281-4288. https://doi.org/10.1088/0953-8984/2/18/025
  • Open Access
    Schlijper, A. G., van Bergen, A. R. D., & Smit, B. (1990). Local states method for the calculation of free energies in Monte Carlo simulations of lattice models. Physical Review A, 41(2), 1175-1178. https://doi.org/10.1103/PhysRevA.41.1175
  • Open Access
    Pickett, S. D., Nowak, A. K., Thomas, J. M., Peterson, B. K., Swift, J. F., Cheetham, A. K., den Ouden, C. J. J., Smit, B., & Post, M. (1990). Mobility of adsorbed species in zeolites: A molecular dynamics simulation of xenon in silicalite. Journal of Physical Chemistry, 94(4), 1233-1236. https://doi.org/10.1021/j100367a010
  • Open Access
    Langkilde, F. W., Wilbrandt, R., & Brouwer, A. M. (1990). Improved force field of (E)-1,3,5-hexatriene based on deuteriated derivatives. Journal of Physical Chemistry, 94(12), 4809-4819. https://doi.org/10.1021/j100375a013
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