Highlights
Chermette, Henry
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2003
Scientific Articles
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 |
unige:3703![]() ![]() | Photodegradation of Sulfonylurea Molecules: Analytical and Theoretical DFT Studies | Corminboeuf, Anne-Clémence; Carnal, Fabrice; Weber, Jacques; Chovelon, Jean-Marc; Chermette, Henry |
2002
Scientific Articles
unige:3506![]() ![]() | Oxidation of methanol to formaldehyde catalyzed by V2O5 : A density functional theory study | Boulet, Pascal; Baiker, Alfons; Chermette, Henry; Gilardoni, François; ... Weber, Jacques |
2001
Scientific Articles
unige:3332![]() ![]() | Absorption and emission spectroscopy of matrix-isolated benzo[g,h,i]perylene. An experimental and theoretical study for astrochemical applications | Chillier, Xavier; Boulet, P.; Chermette, Henry; Salama, F.; Weber, Jacques |
unige:3659![]() ![]() | Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism | Boulet, P.; Chermette, Henry; Daul, Claude; Gilardoni, F.; ... Zuber, G. |
unige:3658![]() ![]() | DFT investigation of metal complexes containing a nitrosyl ligand. 1. ground state and metastable states | Boulet, P.; Buchs, M.; Chermette, Henry; Daul, Claude; ... Weber, Jacques |
unige:3333![]() ![]() | DFT investigation of metal complexes containing a nitrosyl ligand. 2. excited states | Boulet, P.; Buchs, M.; Chermette, Henry; Daul, Claude; ... Weber, Jacques |
unige:3334![]() ![]() | Photochemistry of the CpNiNO complex. A theoretical study using density functional theory | Boulet, P.; Chermette, Henry; Weber, Jacques; |
2000
Scientific Articles
1999
Scientific Articles
1998
Scientific Articles
1997
Scientific Articles
unige:2783![]() ![]() | A density functional especially designed for hydrogen-only systems | Chermette, Henry; Razafinjanahary, Holy; Carrion, Lionel; |
unige:2800![]() ![]() | Numerical evaluation of the internal orbitally resolved chemical hardness tensor in density functional theory | Grigorov, Martin; Weber, Jacques; Chermette, Henry; Tronchet, Jean Marcel Julien; |
unige:2777![]() ![]() | Response to "Comment on Density functional theory study of some structural and energetic properties of small lithium clusters", [J. chem. phys. 107, 1032(1997)] | Gardet, Georges; Rogemond, François; Chermette, Henry; |
1996
Scientific Articles
unige:2829![]() ![]() | Accuracy of approximate kinetic energy functionals in the model of Kohn-Sham equations with constrained electron density : the FH···NCH complex as a test case | Wesolowski, Tomasz Adam; Chermette, Henry; Weber, Jacques; |
unige:2826![]() ![]() | Density functional theory study of some structural and energetic properties of small lithium clusters | Gardet, Georges; Rogemond, François; Chermette, Henry; |
unige:2816![]() ![]() | Electron affinity of hydrogen peroxide and the [H2,O2].- potential energy surface : a comparative DFT and ab initio study | Hrusak, Jan; Friedrichs, Heike; Schwarz, Helmut; Razafinjanahary, Holy; Chermette, Henry |
unige:2818![]() ![]() | La théorie de la fonctionnelle de la densité : un outil pour l'étude théorique de complexes de coordination | Chermette, Henry; |
1995
Scientific Articles
unige:2850![]() ![]() | Band structure of solids from clusters SCF potentials | Nour, Safouh; Chermette, Henry; |
unige:2860![]() ![]() | Comparison of the performance of various gradient corrected exchange and correlation functionals in density functional theory. Case studies of CO and N2O molecules | Chermette, Henry; Lembarki, A.; Gulbinat, Peter; Weber, Jacques; |
unige:2848![]() ![]() | Computation of oscillator strengths from Kohn-Sham wave functions : the example of small lithium clusters | Gardet, Georges; Rogemond, François; Chermette, Henry; |
unige:2847![]() ![]() | Gradient-corrected exchange potential with the correct asymptotic behavior and the corresponding exchange-energy functional obtained from the virial theorem | Lembarki, A.; Rogemond, François; Chermette, Henry; |
unige:2840![]() ![]() | X-ray Absorption Near-Edge Structures of Chloroferrates [FeIICl4]2-, [FeIIICl4]-, and [FeIIICl6]3-: Experimental and MS-LSD Computational Studies | Mehadji, Cherifa; Chermette, Henry; Cartier, Cyril; Verdaguer, M.; |
1994
Scientific Articles
unige:2879![]() ![]() | Analysis and assignment of the optical absorption transitions in CuCl2 with Gaussian density functional calculations | Rogemond, François; Chermette, Henry; Salahub, Dennis R.; |
unige:2875![]() ![]() | Obtaining a gradient-corrected kinetic-energy functional from the Perdew-Wang exchange functional | Lembarki, A.; Chermette, Henry; |
1992
Scientific Articles
unige:2922![]() ![]() | 20 years of the MS-Xα method | Chermette, Henry; |
unige:121592![]() ![]() | Quasi-Relativistic MS-Xα approach to the electronic structures of protactinium halide ions of [PaX8]4- type | Nour, Safouh; Mehadji, Cherifa; Chermette, Henry; Krupa, Jean-Claude; |
unige:2920![]() ![]() | Structure and energetics of hydrogen clusters : structure of H1+1 and H1+3 : vibrational frequencies and infrared intensities of the H2+n+1 clusters (n=2-6) | Farizon, Michel; Chermette, Henry; Farizon-Mazuy, Bernadette; |
unige:2929![]() ![]() | The Oxidation reaction in X-irradiated bis(ethylenediamine)platinum(II) bis(hydrogen squarate) : a single crystal EPR study of a platinum(III) complex | Geoffroy, Michel; Bernardinelli, Gérald Hugues; Castan, Paule; Chermette, Henry; ... Wermeille, Michel André |
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