Laurent Joubert

发表

Development of a new QSPR based tool to predict explosibility properties of chemical substances within the framework of REACH and GHS

Patricia Rotureau, Carlo Adamo, Guillaume Fayet, 2010 .

Predicting experimental electrophilicities from quantum and topological descriptors: A machine learning approach

Benoit Gaüzère, Sébastien Adam, Muhammet Balcilar, 2020, J. Comput. Chem..

Nine questions on energy decomposition analysis

Farnaz Heidar-Zadeh, Paul W. Ayers, Roberto Álvarez Boto, 2019, J. Comput. Chem..

Predicting explosibility properties of chemicals from quantitative structure‐property relationships

Patricia Rotureau, Guillaume Fayet, Carlo Adamo, 2009 .

Quantifying electro/nucleophilicity by partitioning the dual descriptor

Laurent Joubert, Vincent Tognetti, Christophe Morell, 2015, J. Comput. Chem..

Electron localization function view of bonding in selected aluminum fluoride molecules

Laurent Joubert, Bernard Silvi, Franck Fuster, 1999 .

Structural and Thermochemical ab Initio Studies of Lanthanide Trihalide Molecules with Pseudopotentials

Laurent Joubert, Gérard Picard, Jean-Jacques Legendre, 1998 .

Improved convergence of the ‘atoms in molecules’ multipole expansion of electrostatic interaction

Laurent Joubert, Paul L. A. Popelier, P. Popelier, 2002 .

On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms.

Laurent Joubert, Vincent Tognetti, Vincent Tognetti, 2013, The Journal of chemical physics.

On critical points and exchange-related properties of intramolecular bonds between two electronegative atoms

Laurent Joubert, Vincent Tognetti, Vincent Tognetti, 2013 .

On the influence of dynamical effects on reactivity descriptors

Guillaume Hoffmann, Laurent Joubert, Vincent Tognetti, 2019, Chemical Physics Letters.

Theoretical study of the decomposition reactions in substituted nitrobenzenes.

Patricia Rotureau, Guillaume Fayet, Carlo Adamo, 2008, The journal of physical chemistry. A.

Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic Tools

Patricia Rotureau, Carlo Adamo, Laurent Joubert, 2011, Molecular informatics.

Convergence of the electrostatic interaction based on topological atoms

Laurent Joubert, Paul L. A. Popelier, P. Popelier, 2001 .

A Theoretical Investigation of the Ground and Excited States of Selected Ru and Os Polypyridyl Molecular Dyes

Vincenzo Barone, Carlo Adamo, Jean-François Guillemoles, 2002 .

Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?

Guillaume Hoffmann, Laurent Joubert, Vincent Tognetti, 2018, Journal of Molecular Modeling.

A theoretical investigation of the dye-redox mediator interaction in dye-sensitized photovoltaic cells

Carlo Adamo, Jean-François Guillemoles, Laurent Joubert, 2003 .