Laboratoire de Chimie et Physique Quantiques Lcpq

Top Publications

Top Publications Authored or Co-Authored in "Laboratoire de Chimie et Physique Quantiques Lcpq"

• A Nonempirical Heisenberg Hamiltonian for the Study of Conjugated Hydrocarbons. Ground-State Conformational Studies

  Journal of the American Chemical Society, Volume 106, No. 3, Year 1984, Citations 132
• Excited-State Properties of Linear Polyenes Studied through a Nonempirical Heisenberg Hamiltonian

  Journal of the American Chemical Society, Volume 106, No. 3, Year 1984, Citations 108
• Nonradiative lifetimes for LiH in the a state using adiabatic and diabatic schemes

  Journal of Chemical Physics, Volume 107, No. 24, Year 1997, Citations 48
• Ab initio adiabatic and diabatic permanent dipoles for the low-lying states of the LiH molecule. A direct illustration of the ionic character

  Chemical Physics Letters, Volume 247, No. 1-2, Year 1995, Citations 47
• Computation and assignment of radial couplings using accurate diabatic data for the uh molecule

  Journal of Physics B: Atomic, Molecular and Optical Physics, Volume 26, No. 1, Year 1993, Citations 46