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Calculation of the vibronic structure of the X 2? photoelectron spectra of XCN, X = F, Cl, Br.
Journal of Chemical Physics, American Institute of Physics, 27-01-2006, 124, 44317Article dans une revue scientifique -
Spin-orbit configuration interaction study of the electronic structure of the 5f 2 manifold of U4+ and the 5f manifold of U5+
Journal of Chemical Physics, American Institute of Physics, 17-04-2008, 128, 154310Compte-rendu et recension critique d'ouvrage -
Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F
Journal of Chemical Physics, American Institute of Physics, 15-12-2005, 123, 231103Compte-rendu et recension critique d'ouvrage -
Ab initio embedded cluster study of the excitation spectrum and Stokes shifts of Y2O3 doped by Bi^3+
Journal of Chemical Physics, American Institute of Physics, 12-09-2007, 127, 104705Compte-rendu et recension critique d'ouvrage -
Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics at the 1\sigma\pi-S0 conical intersections
Journal of Chemical Physics, American Institute of Physics, 10-10-2005, 123, 144307Compte-rendu et recension critique d'ouvrage -
Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account long-range impurity induced distortions: the example of Y<sub>2</sub>O<sub>3</sub>:Bi<sup>3+</sup>
Journal of Chemical Physics, American Institute of Physics, 16-11-2009, 131, 194501Compte-rendu et recension critique d'ouvrage -
Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules.
Journal of Chemical Physics, American Institute of Physics, 27-09-2005, 123, 124104Compte-rendu et recension critique d'ouvrage -
Theoretical investigation of the energies and geometries of photo-excited uranyl(VI) ion: a comparison between wave-function theory and density functional theory
Journal of Chemical Physics, American Institute of Physics, 03-12-2007, 127, 214302Compte-rendu et recension critique d'ouvrage -
Ab initio study of a Bi<sup>3+</sup> impurity in Cs<sub>2</sub>NaYCl<sub>6</sub> and Y<sub>2</sub>O<sub>3</sub>: comparison of perturbative and variational electron correlation methods
Journal of Chemical Physics, American Institute of Physics, 06-11-2006, 125, 174709Compte-rendu et recension critique d'ouvrage -
Time-dependent quantum wave-packet description of the ^1\pi\sigma* photochemistry of phenol
Journal of Chemical Physics, American Institute of Physics, 15-06-2005, 122, 224315Compte-rendu et recension critique d'ouvrage