Stabilities, Excitation Energies, and Dissociation Reactions of CF₂Cl₂ and CF₂Br₂: Quantum Chemical Computations of Heats of Formation of Fluorinated Methanes, Methyls, and Carbenes

This publication has 56 references indexed in Scilit:

• Spectroscopic constants of the X̃(1A1), ã(3B1), and Ã(1B1) states of CF2, CCl2, and CBr2 and heats of formation of selected halocarbenes: An ab initio quantum chemical study
  The Journal of Chemical Physics, 2000
• An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
  The Journal of Chemical Physics, 1998
• Basis-set convergence of correlated calculations on water
  The Journal of Chemical Physics, 1997
• Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
  The Journal of Chemical Physics, 1997
• Competition between unimolecular C–Br–bond fission and Br2 elimination in vibrationally highly excited CF2Br2
  The Journal of Chemical Physics, 1994
• The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
  The Journal of Chemical Physics, 1993
• Second-order perturbation theory with a complete active space self-consistent field reference function
  The Journal of Chemical Physics, 1992
• Toward a systematic molecular orbital theory for excited states
  The Journal of Physical Chemistry, 1992
• Hydrocarbon Bond Dissociation Energies
  Annual Review of Physical Chemistry, 1982
• Vacuum ultraviolet absorption spectra of solid N2O and CO2 at 53 K
  The Journal of Chemical Physics, 1975