Archive ouverte UNIGE

Français

	Title	Authors / Editors	Date
unige:2922	20 years of the MS-Xα method	Chermette, Henry	1992
unige:2783	A density functional especially designed for hydrogen-only systems	Chermette, Henry; Razafinjanahary, Holy; Carrion, Lionel	1997
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	2001
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.	2001
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	1996
unige:2879	Analysis and assignment of the optical absorption transitions in CuCl2 with Gaussian density functional calculations	Rogemond, François; Chermette, Henry; Salahub, Dennis R.	1994
unige:2850	Band structure of solids from clusters SCF potentials	Nour, Safouh; Chermette, Henry	1995
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: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	1995
unige:2848	Computation of oscillator strengths from Kohn-Sham wave functions : the example of small lithium clusters	Gardet, Georges; Rogemond, François; Chermette, Henry	1995
unige:2826	Density functional theory study of some structural and energetic properties of small lithium clusters	Gardet, Georges; Rogemond, François; Chermette, Henry	1996
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	2001
unige:3333	DFT investigation of metal complexes containing a nitrosyl ligand. 2. excited states	Boulet, P.; Buchs, M.; Chermette, Henry; Daul, Claude; ... Weber, Jacques	2001
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	1996
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	1995
unige:2818	La théorie de la fonctionnelle de la densité : un outil pour l'étude théorique de complexes de coordination	Chermette, Henry	1996
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	1997
unige:2760	Numerical evalutation of the internal orbitally resolved chemical hardness tensor : second order chemical reactivity through thermal density functional theory	Grigorov, Martin; Weber, Jacques; Vulliermet, Nathalie; Chermette, Henry; Tronchet, Jean Marcel Julien	1998
unige:2875	Obtaining a gradient-corrected kinetic-energy functional from the Perdew-Wang exchange functional	Lembarki, A.; Chermette, Henry	1994
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	2002

View all records: 82201

Back to top About Swiss Copyright

Validator | Admin