A comprehensive theoretical view of the bonding in actinide molecular complexesPETIT, Laurence; JOUBERT, Laurent; MALDIVI, Pascale et al.Journal of the American Chemical Society. 2006, Vol 128, Num 7, pp 2190-2191, issn 0002-7863, 2 p.Article

The elusive atomic rationale for DNA base pair stabilityPOPELIER, Paul L. A; JOUBERT, Laurent.Journal of the American Chemical Society. 2002, Vol 124, Num 29, pp 8725-8729, issn 0002-7863Article

A theoretical investigation of the dye-redox mediator interaction in dye-sensitized photovoltaic cellsJOUBERT, Laurent; GUILLEMOLES, Jean-Francois; ADAMO, Carlo et al.Chemical physics letters. 2003, Vol 371, Num 3-4, pp 378-385, issn 0009-2614, 8 p.Article

Spin trapping by bis(benzene)chromium: A density functional studyPERRIER, Aurélie; COURIER, Didier; JOUBERT, Laurent et al.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 7, pp 1337-1343, issn 1463-9076, 7 p.Article

On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculationsFAYET, Guillaume; ROTUREAU, Patricia; JOUBERT, Laurent et al.Journal of hazardous materials (Print). 2009, Vol 171, Num 1-3, pp 845-850, issn 0304-3894, 6 p.Article

On the Physical Nature of Halogen Bonds: A QTAIM StudySYZGANTSEVA, Olga A; TOGNETTI, Vincent; JOUBERT, Laurent et al.The journal of physical chemistry. A. 2013, Vol 117, Num 36, pp 8969-8980, issn 1089-5639, 12 p.Article

Apport de la chimie quantique à la caractérisation fine de structures iono-covalentes appartenant à des systèmes complexes, d'intérêt industriel (aluminium et lanthanides) = A quantum chemical approach in the bonding and energetic properties of iono-covalent complexes relevant to industrial processes (aluminum and lanthanides)Joubert, Laurent; Picard, Gerard.1998, 213 p.Thesis

A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory failsTOGNETTI, Vincent; MORELL, Christophe; AYERS, Paul W et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 34, pp 14465-14475, issn 1463-9076, 11 p.Article

Ammonia on Ni(111) surface studied by first principles: Bonding, multilayers structure and comparison with experimental IR and XPS dataDIAWARA, Boubalcar; JOUBERT, Laurent; COSTA, Dominique et al.Surface science. 2009, Vol 603, Num 20, pp 3025-3034, issn 0039-6028, 10 p.Article

Combined Chemical, Biological and Theoretical DFT-QTAIM Study of Potent Glycosidase Inhibitors Based on Quaternary Indolizinium SaltsSAFAR, Peter; ZUZIOVA, Jozefina; DAÏCH, Adam et al.European journal of organic chemistry (Print). 2012, Num 28, pp 5498-5514, issn 1434-193X, 17 p.Article

Simulations des interfaces minéral-macromolécule par dynamique moléculaire : Structure de l'eau = Simulation of mineral-macromolecule interface by molecular dynamics. Structure of waterCHAPRON, Yves; PEAUDECERF, Alix; JOUBERT, Laurent et al.Matériaux et techniques. 2002, Vol 90, Num 9-10, pp 39-47, issn 0032-6895, 9 p.Conference Paper

A density functional theory study of uranium(VI) nitrate monoamide complexesPRESTIANNI, Antonio; JOUBERT, Laurent; CHAGNES, Alexandre et al.PCCP. Physical chemistry chemical physics (Print). 2011, Vol 13, Num 43, pp 19371-19377, issn 1463-9076, 7 p.Article