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Influence of the geometry of a hydrogen bond on conformational stability: a theoretical and experimental study of ethyl carbamate
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 29-01-2009, 11, 1719Compte-rendu et recension critique d'ouvragetexte intégral -
Benchmarking Electronic Structure Calculations on the Bare UO<sub>2</sub><sup>2+</sup> ion: How Different are Single and Multireference Electron Correlation Methods?
Journal of Physical Chemistry A, American Chemical Society, 16-07-2009, 113, 12504---12511Compte-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 -
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 -
Spectroscopy and photochemistry of uranyl(VI).
International Conference of Computational Methods in Sciences and Engineering 2006, Chania, 2006, Recent Progress in Computational Sciences and Engineering, Vol. 7 B de Lecture Series on Computer and Computational Sciences, (Brill Acadamic Publishers, P. O. Box 9000, 2300 PA Leiden, The Netherlands, 2006, 2006Communication dans un congrès avec actes -
Ab initio theoretical study of the electronic structure of UO2+ and [UO2(CO3)3]5-
Journal of Physical Chemistry A, American Chemical Society, 30-01-2009, 113, 1420Compte-rendu et recension critique d'ouvrage -
Molecules in condensed phase, the ab initio way: using embedding methods to calculate local properties of large-scale systems
Réunion du GDR2758 ``Agrégation, fragmentation et thermodynamique de systèmes moléculaires complexes isolés'', Toulouse, 01-11-2009, 01-11-2009 -
On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating $f^0$ actinide species.
Journal of Chemical Physics, American Institute of Physics, 04-08-2009, 131, 054107Compte-rendu et recension critique d'ouvrage -
Ab initio study of the mechanism for photoinduced yl-oxygen exchange in uranyl(VI) in acidic aqueous solution.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, American Chemical Society, 08-08-2008, 130, 11742–11751Compte-rendu et recension critique d'ouvragetexte intégral -
Ab Initio Study of the Mechanism for Photoinduced Yl-Oxygen Exchange in Uranyl(VI) in Acidic Aqueous Solution
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, American Chemical Society, 03-09-2008, 130; 35, 11742-11751Compte-rendu et recension critique d'ouvragetexte intégral