Proton Transfer Dynamics in Acetylacetone: A Mixed Quantum-Classical Simulation of Vibrational Spectra

This publication has 49 references indexed in Scilit:

• A Theory for the Rate Constant of a Dissociative Proton-Coupled Electron-Transfer Reaction
  The Journal of Physical Chemistry A, 1999
• Ultrafast photoinduced dissipative hydrogen switching dynamics in thioacetylacetone
  Physical Chemistry Chemical Physics, 1999
• Molecular Mechanism of HCl Acid Ionization in Water: Ab Initio Potential Energy Surfaces and Monte Carlo Simulations
  The Journal of Physical Chemistry B, 1997
• The Effect of Quantum and Thermal Fluctuations on the Structure of the Floppy Molecule C ₂ H ₃ ⁺
  Science, 1996
• Calculation of the Proton Transfer Rate Using Density Matrix Evolution and Molecular Dynamics Simulations: Inclusion of the Proton Excited States
  The Journal of Physical Chemistry, 1995
• Molecular dynamics with electronic transitions
  The Journal of Chemical Physics, 1990
• Profiles of hydrogen stretching IR bands of molecules with hydrogen bonds: A stochastic theory. II. Strong hydrogen bonds
  The Journal of Chemical Physics, 1982
• Extremely high polarizability of hydrogen bonds
  Journal of the American Chemical Society, 1972
• Vibrational spectra of acetylacetone and its anion
  J. Chem. Soc. A, 1970
• The infra-red absorption bands associated with the chelate ring in some unsaturated hydroxycarbonyl compounds
  Transactions of the Faraday Society, 1956