검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Artificial metalloenzymes: (Strept)avidin as host for enantioselective hydrogenation by achiral biotinylated rhodium-diphosphine complexes Skander M, Humbert N, Collot J, Gradinaru J, Klein G, Loosli A, Sauser J, Zocchi A, Gilardoni F, Ward TR Journal of the American Chemical Society, 126(44), 14411, 2004 |
| 2 |
R&D intensification in polymer catalyst and product development by using high-throughput experimentation and simulation Gruter GJM, Graham A, McKay B, Gilardoni F Macromolecular Rapid Communications, 24(1), 74, 2003 |
| 3 |
Oxidation of methanol to formaldehyde catalyzed by V2O5. A density functional theory study Boulet P, Baiker A, Chermette H, Gilardoni F, Volta JC, Weber J Journal of Physical Chemistry B, 106(37), 9659, 2002 |
| 4 |
Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism Boulet P, Chermette H, Daul C, Gilardoni F, Rogemond F, Weber J, Zuber G Journal of Physical Chemistry A, 105(5), 885, 2001 |
| 5 |
DFT investigation of metal complexes containing a nitrosyl ligand. 1. Ground state and metastable states Boulet P, Buchs M, Chermette H, Daul C, Gilardoni F, Rogemond F, Schlapfer CW, Weber J Journal of Physical Chemistry A, 105(39), 8991, 2001 |
| 6 |
DFT investigation of metal complexes containing a nitrosyl ligand. 2. Excited states Boulet P, Buchs M, Chermette H, Daul C, Furet E, Gilardoni F, Rogemond F, Schlapfer CW, Weber J Journal of Physical Chemistry A, 105(39), 8999, 2001 |
| 7 |
Density functional theory calculations of the oxidative dehydrogenation of propane on the (010) surface of V2O5 Gilardoni F, Bell AT, Chakraborty A, Boulet P Journal of Physical Chemistry B, 104(51), 12250, 2000 |
| 8 |
A comparison of ground- and excited-state properties of gas phase and crystalline ruthenocene using density functional theory Gilardoni F, Weber J, Hauser A, Daul C Journal of Chemical Physics, 109(4), 1425, 1998 |
| 9 |
Reactivity indices in density functional theory : A new evaluation of the condensed Fukui function by numerical integration Gilardoni F, Weber J, Chermette H, Ward TR Journal of Physical Chemistry A, 102(20), 3607, 1998 |
| 10 |
Mechanism of the vanadium oxide-catalyzed selective reduction of NO by NH3. A quantum chemical modeling Gilardoni F, Weber J, Baiker A Journal of Physical Chemistry A, 101(34), 6069, 1997 |