Multiconfigurational molecular dynamics with quantum transitions: Multiple proton transfer reactions

This publication has 92 references indexed in Scilit:

• Theoretical Study of H⁺Translocation along a Model Proton Wire
  The Journal of Physical Chemistry, 1996
• Interruption of the Water Chain in the Reaction Center from Rhodobacter sphaeroides Reduces the Rates of the Proton Uptake and of the Second Electron Transfer to QB
  Biochemistry, 1995
• Time-dependent photodissociation of methyl iodide with five active modes
  The Journal of Chemical Physics, 1994
• A multiconfiguration time-dependent Hartree approximation based on natural single-particle states
  The Journal of Chemical Physics, 1993
• Mixed quantum wave packet/classical trajectory treatment of the photodissociation process ArHCl→Ar+H+Cl
  The Journal of Chemical Physics, 1992
• Effects of solvation by a single atom on photodissociation: Classical and quantum/classical studies of HCl photolysis in Ar⋅⋅⋅HCl
  The Journal of Chemical Physics, 1992
• Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems
  Computer Physics Communications, 1991
• Nonadiabatic processes in condensed matter: semi-classical theory and implementation
  Computer Physics Communications, 1991
• Model for the structure of bacteriorhodopsin based on high-resolution electron cryo-microscopy
  Journal of Molecular Biology, 1990
• Trajectory-surface-hopping study of Na(3p 2P) +H2 → Na(3s 2S)+H2(v′, j′, θ)
  The Journal of Chemical Physics, 1983