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	Title	Authors / Editors	Date
unige:3647	The role of density functional theory in chemistry: Some historical landmarks and applications to zeolites	Corminboeuf, Anne-Clémence; Tran, Fabien; Weber, Jacques	2006
unige:3628	Vibrational and electronic circular dichroism of Δ-TRISPHAT [tris(tetrachlorobenzenediolato)phosphate(V)] anion	Bas, Delphine; Buergi, Thomas; Lacour, Jérôme; Vachon, Jérôme; Weber, Jacques	2005
unige:4033	Applied density functional theory and the deMon Codes 1964 to 2004 : the first 40 years	Salahub, D.R.; Goursot, Annick; Weber, Jacques; Köster, A.M.; Vela, A.	2005
unige:3251	Tuning facial-meridional isomerisation in monometallic nine-coordinate lanthanide complexes with unsymmetrical tridentate ligands	Le Borgne, Thierry; Altmann, Peter; André, Nicolas; Bünzli, Jean-Claude G.; ... Piguet, Claude	2004
unige:3256	Unusual regio- and enantioselective [1,2]-Stevens rearrangement of a spirobi[dibenzazepinium] cation	Vial, Laurent; Gonçalves, Maria-Héléna; Morgantini, Pierre-Yves; Weber, Jacques; ... Lacour, Jérôme	2004
unige:3708	Induced magnetic fields in aromatic [n]-annulenes-interpretation of NICS tensor components	Corminboeuf, Anne-Clémence; Heine, Thomas; Seifert, Gotthard; Schleyer, Paul von Ragué; Weber, Jacques	2004
unige:3516	Antiaromaticity in Bare Deltahedral Silicon Clusters Satsifying Wade's and Hirsch's Rules: An Apparent Correlation of Antiaromaticity with High Symmetry	King, R. Bruce; Corminboeuf, Anne-Clémence; Heine, Thomas; Schleyer, Paul von Ragué	2004
unige:3518	[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies	Alezra, Valérie Camille Viviane; Bernardinelli, Gérald Hugues; Corminboeuf, Anne-Clémence; Frey, Urban; ... Weber, Jacques	2004
unige:3325	Calculated volume and energy profiles for water exchange on t2g6 rhodium(III) and iridium(III) hexaaquaions : conclusive evidence for an Ia mechanism	De Vito, David; Weber, Jacques; Merbach, André E.	2004
unige:3236	Connecting Terminal Carboxylate Groups in Nine-Coordinate Lanthanide Podates: Consequences on the Thermodynamic, Structural, Electronic, and Photophysical Properties	Senegas, Jean-Michel; Bernardinelli, Gérald Hugues; Imbert, Daniel; Bünzli, Jean-Claude G.; ... Piguet, Claude	2003
unige:3238	A Highly Configurationally Stable [4]Heterohelicenium Cation	Herse, Christelle; Bas, Delphine; Krebs, Frederik C.; Buergi, Thomas; ... Lacour, Jérôme	2003
unige:3240	Density Functional Study of a Helical Organic Cation	Bas, Delphine; Morgantini, Pierre-Yves; Weber, Jacques; Wesolowski, Tomasz Adam	2003
unige:3245	An experimental and theoretical study of [RhCl(PF3)2]2 fragmentation	Seuret, Patrick; Cicoira, F.; Ohta, T.; Doppelt, P.; ... Wesolowski, Tomasz Adam	2003
unige:3684	Clusters of alkali and alkaline earth metals : a new synthetic approach, single crystal structures, theoretical calculations and potential applications	Fromm, K.M.; Gueneau, E.D.; Bernardinelli, Gérald Hugues; Goesmann, H.; ... Chermette, Henry	2003
unige:3685	Nuclear magnetic resonance chemical shifts and paramagnetic field modifications in La2CuO4	Renold, S.; Heine, Thomas; Weber, Jacques; Meier, P.F.	2003
unige:3702	Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts	Heine, Thomas; Schleyer, Paul von Ragué; Corminboeuf, Anne-Clémence; Seifert, Gotthard; ... Weber, Jacques	2003
unige:3703	Photodegradation of Sulfonylurea Molecules: Analytical and Theoretical DFT Studies	Corminboeuf, Anne-Clémence; Carnal, Fabrice; Weber, Jacques; Chovelon, Jean-Marc; Chermette, Henry	2003
unige:3502	Density functional theory study of homologous organometallic molecules of the [RhXL2]2 (X=Cl, Br, or I); L=CO, PH3, or PF3) type	Seuret, Patrick; Weber, Jacques; Wesolowski, Tomasz Adam	2003
unige:3505	The solution structure of homotrimetallic lanthanide helicates investigated with novel model-free multi-centre paramagnetic NMR methods	Ouali, Nadjet; Rivera, Jean-Pierre; Morgantini, Pierre-Yves; Weber, Jacques; Piguet, Claude	2003
unige:3513	Do All-Metal Antiaromatic Clusters Exist?	Chen, Zhongfang; Corminboeuf, Anne-Clémence; Heine, Thomas; Bohmann, Jon; Schleyer, Paul von Ragué	2003

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