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Chemistry (Weinheim an Der Bergstrasse, Germany)|June 7, 2014
Predicting new Ugi-smiles couplings: a combined experimental and theoretical studyRomain Ramozzi, Nicolas Chéron, Laurent El Kaïm, et al.Physical Chemistry Chemical Physics : PCCP|October 13, 2015
Molecular adsorption at Pt(111). How accurate are DFT functionals?Sarah Gautier, Stephan N Steinmann, Carine Michel, et al.The Journal of Organic Chemistry|December 19, 2014
Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanesElodie Martinand-Lurin, Raymond Gruber, Pascal Retailleau, et al.Journal of Computational Chemistry|January 25, 2013
QMX: a versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surfaceTorsten Kerber, Rachel Nathaniel Kerber, Xavier Rozanska, et al.The Journal of Chemical Physics|January 11, 2007
Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: all the same?Samir Zein, Serguei A Borshch, Paul Fleurat-Lessard, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 9, 2016
Multiple Roles of Isocyanides in Palladium-Catalyzed Imidoylative Couplings: A Mechanistic StudyLuca A Perego, Paul Fleurat-Lessard, Laurent El Kaïm, et al.Journal of Computational Chemistry|August 21, 2012
Accelerating VASP electronic structure calculations using graphic processing unitsMohamed Hacene, Ani Anciaux-Sedrakian, Xavier Rozanska, et al.RSC Advances|May 6, 2022
Influence of solvent mixture on nucleophilicity parameters: the case of pyrrolidine in methanol-acetonitrileSalma Souissi, Wahiba Gabsi, Abderraouf Echaieb, et al.Inorganic Chemistry|April 3, 2023
Altering the Site of Electron Abstraction in Cobalt Corroles via meso-Trifluoromethyl SubstituentsW Ryan Osterloh, Nicolas Desbois, Paul Fleurat-Lessard, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 15, 2022
Tetranuclear Dicationic Aurophilic Gold(I) Catalysts in Enyne Cycloisomerization: Cooperativity for a Dramatic Shift in SelectivityTuan-Anh Nguyen, E Daiann Sosa Carrizo, Hélène Cattey, et al.Pageof 17