Predicting Rare Events in Molecular Dynamics

This publication has 103 references indexed in Scilit:

• A quantized classical path approach for calculations of quantum mechanical rate constants
  The Journal of Physical Chemistry, 1993
• Evaluation of catalytic free energies in genetically modified proteins
  Journal of Molecular Biology, 1988
• The Dynamics of Proteins
  Scientific American, 1986
• Stochastic-trajectory simulations of gas–surface interactions: Xe on Pt(111)
  Faraday Discussions of the Chemical Society, 1985
• Dynamical corrections to transition state theory for multistate systems: Surface self-diffusion in the rare-event regime
  The Journal of Chemical Physics, 1985
• Incorporation of quantum effects in generalized-transition-state theory
  The Journal of Physical Chemistry, 1982
• Stochastic molecular dynamics study of t r a n s–g a u c h e isomerization processes in simple chain molecules
  The Journal of Chemical Physics, 1980
• Importance of nonseparability in quantum mechanical transition-state theory
  Accounts of Chemical Research, 1976
• Comparison of the combined phase-space/trajectory and quasiclassical trajectory methods in the study of reaction dynamics: H + I2 and H + Br2
  The Journal of Chemical Physics, 1975
• The three-body recombination and dissociation of diatomic molecules: A comparison between theory and experiment
  Symposium (International) on Combustion, 1971