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Inhalt des Dokuments

Inhalt

  • 1989
  • 1988
  • 1987
  • 1986
  • 1985
  • 1984
  • 1983

1989

  • Structure of a simple molecular dynamics FORTRAN program optimized for Cray vector processing computers., M. Schoen, Comput. Phys. Commun. 52, 175 (1989) [1]
  • The reaction potential in anisotropic fluids., A. W. Hertzner, M. Schoen, H. Morgner, Mol. Phys. 68, 1143 (1989 [2])
  • Shear forces in molecularly thin films., M. Schoen, C. L. Rhykerd, Jr., D. J. Diestler, J. H. Cushman, Science245, 1223 (1989) [3]
  • Slit-pore sorption isotherms by the grand canonical Monte Carlo method: Manifestations of hysteresis., M. Schoen, C. L. Rhykerd, Jr., D. J. Diestler, J. H. Cushman, Mol. Phys. 66, 1171 (1989) [4]

1988

  • Fluids in micropores. II. Self-diffusion of a simple classical fluid in a slit-pore., M. Schoen, J. H. Cushman, D. J. Diestler, C. L. Rhykerd, Jr., J. Chem. Phys 88, 1394 (1988) [5].

1987

  • Epitaxy in simple classical fluids in micropores and near solid surfaces., C. L. Rhykerd, Jr., M. Schoen, D. J. Diestler, J. H. Cushman, Nature330, 461 (1987) [6]
  • Fluids in micropores.
    I. Structure of a simple classical fluid in a slit-pore., M. Schoen, D. J. Diestler, J. H. Cushman, J. Chem. Phys. 87, 5464 (1987) [7]
  • Comparison of the Singer method and the constraints method for molecular dynamics simulations of linear molecules on the CYBER 205., C. Hoheisel, R. Vogelsang, M. Schoen, Comput. Phys. Commun. 43, 217 (1987) [8]
  • Bulk viscosity of the Lennard-Jones fluid for a wide range of thermodynamic states computed by equilibrium molecular dynamics., C. Hoheisel, R. Vogelsang, M. Schoen, J. Chem. Phys. 87, 7195 (1987) [9]

1986

  • Liquid CH, liquid CF and the parially miscible liquid mixture CH4/ CF4. A molecular dynamics study based upon both a spherically symmetric and a four-site Lennard-Jones potential model., M. Schoen, O. Beyer, C. Hoheisel, Mol. Phys. 58, 699 (1986) [10]
  • Computation and analysis of the dynamic structure factor S (k, w) in binary liquid mixtures. M. Schoen, C. Hoheisel, Mol. Phys. 58, 181 (1986) [11]
  • Static and dynamic cross correlations in thermodynamically stable and unstable mixtures. II. Molecular dynamics studies on Lennard-Jones systems constituted of particles of unlike size., M. Schoen, C. Hoheisel, Mol. Phys. 57, 65 (1986) [12]
  • Computation and analysis of the dynamic structure factor S (k, w) for small wave vectors. A Molecular dynamics study for a Lennard-Jones liquid., M. Schoen, R. Vogelsang, C. Hoheisel, Mol. Phys. 57, 445 (1986) [13].

1985

  • The shear viscosity of a Lennard-Jones fluid calculated by equilibrium molecular dynamics., M. Schoen, C. Hoheisel, Mol. Phys. 56, 653 (1985) [14].

1984

  • Static and dynamic cross correlations in thermodynamically stable and unstable mixtures. I. A molecular dynamics simulation study using Lennard-Jones (12,6) pair potential functions with identical s parameters., M. Schoen, C. Hoheisel, Mol. Phys. 53, 1367 (1984) [15]
  • Vectorized computation of correlation functions from phase space trajectories generated by molecular dynamics calculations., C. Hoheisel, M. Schoen, R. Vogelsang, Comput. Phys. Commun. 34, 9 (1984) [16]
  • The mutual diffusion coefficient D in binary liquid model mixtures. Molecular dynamics calculations based on Lennard-Jones(12,6) potentials. II. Lorentz-Berthelot mixtures., M. Schoen, C. Hoheisel, Mol. Phys. 52, 1029 (1984) [17]
  • The mutual diffusion coefficient D12 in binary liquid model mixtures. Molecular dynamics calculations based on Lennard-Jones(12,6) potentials. I. The method of determination., M. Schoen, C. Hoheisel, Mol. Phys. 52, 33 (1984) [18]
  • The recurrence time in molecular dynamics ensembles., M. Schoen, R. Vogelsang, C. Hoheisel, CCP5 Quarterly 13, 27 (1984)
  • Molekulardynamische Computersimulationen molekularer Flüssigkeiten., M. Schoen, in Proc. Conf. on CYBER 200 Bochum, Vol. 8, hrsg. von H. Ehlich, K. H. Schlosser, (Ruhr-Universität Bochum, 1984).

1983

  • Vectorization of molecular dynamics FORTRAN programs using the CYBER 205 vector processing computer., R. Vogelsang, M. Schoen, C. Hoheisel, Comput. Phys. Commun. 30, 235 (1983 [19])

Prof. Dr. Martin Schoen
Fachgebietsleiter
Theoretische Chemie
E-Mail-Anfrage [20]
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