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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

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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

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Reply to comment on "Theoretical study of interstellar hydroxylamine chemistry : protonation and proton transfer mediated by H+3"

Boulet, P.; Gilardoni, F.; Weber, Jacques; Chermette, Henry; Ellinger, Yves

1999

Scientific Articles

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Theoretical Study of Interstellar Hydroxylamine Chemistry: Protonation and Proton Transfer Mediated by H3+

Boulet, Pascal; Gilardoni, François; Weber, Jacques; Chermette, Henry; Ellinger, Yves

1998

Scientific Articles

unige:2760	Numerical evalutation of the internal orbitally resolved chemical hardness tensor : second order chemical reactivity through thermal density functional theory	Grigorov, Martin G.; Weber, Jacques; Vulliermet, Nathalie; Chermette, Henry; Tronchet, Jean M.J.
unige:2755	Reactivity indices in density functional theory: a new evaluation of the condensed Fukui function by numerical integration	Gilardoni, François; Weber, Jacques; Chermette, Henry; Ward, Thomas R.;

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 G.; Weber, Jacques; Chermette, Henry; Tronchet, Jean M.J.;
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: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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