Showing results (1-10 of 263) with videos related to

Sort By:
Pageof 27
The Journal of Chemical Physics|December 17, 2005
Static and dynamic descriptions of bond breaking/formation: a complementary view?Laurent Joubert, Carlo Adamo
The Journal of Chemical Physics|June 10, 2010
Communications: Making density functional theory and the quantum theory of atoms in molecules converse: a local approachVincent Tognetti, Laurent Joubert, Carlo Adamo
Journal of the American Chemical Society|February 16, 2006
A comprehensive theoretical view of the bonding in actinide molecular complexesLaurence Petit, Laurent Joubert, Pascale Maldivi, et al.
Journal of Chemical Theory and Computation|December 3, 2015
Comparative Static and Dynamic Study of a Prototype SN2 ReactionLaurent Joubert, Michele Pavone, Vincenzo Barone, et al.
Journal of Hazardous Materials|July 21, 2009
On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculationsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.
The Journal of Physical Chemistry. A|October 13, 2009
Toward a combined DFT/QTAIM description of agostic bonds: the critical case of a Nb(III) complexVincent Tognetti, Laurent Joubert, Pietro Cortona, et al.
Journal of Molecular Modeling|December 22, 2010
Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanismsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.
The Journal of Physical Chemistry. A|April 9, 2008
Theoretical study of the decomposition reactions in substituted nitrobenzenesGuillaume Fayet, Laurent Joubert, Patricia Rotureau, et al.
Journal of Molecular Modeling|January 6, 2010
QSPR modeling of thermal stability of nitroaromatic compounds: DFT vs. AM1 calculated descriptorsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.
The Journal of Physical Chemistry. A|October 21, 2009
A theoretical study of the decomposition mechanisms in substituted o-nitrotoluenesGuillaume Fayet, Laurent Joubert, Patricia Rotureau, et al.
Pageof 27