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Results: 1-9 |
Results: 9
Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism
Authors: Boulet, P Chermette, H Daul, C Gilardoni, F Rogemond, F Weber, J Zuber, G
Citation: P. Boulet et al., Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism, J PHYS CH A, 105(5), 2001, pp. 885-894
DFT investigation of metal complexes containing a nitrosyl ligand. 1. Ground state and metastable states
Authors: Boulet, P Buchs, M Chermette, H Daul, C Gilardoni, F Rogemond, F Schlapfer, CW Weber, J
Citation: P. Boulet et al., DFT investigation of metal complexes containing a nitrosyl ligand. 1. Ground state and metastable states, J PHYS CH A, 105(39), 2001, pp. 8991-8998
DFT investigation of metal complexes containing a nitrosyl ligand. 2. Excited states
Authors: Boulet, P Buchs, M Chermette, H Daul, C Furet, E Gilardoni, F Rogemond, F Schlapfer, CW Weber, J
Citation: P. Boulet et al., DFT investigation of metal complexes containing a nitrosyl ligand. 2. Excited states, J PHYS CH A, 105(39), 2001, pp. 8999-9003
Density functional theory calculations of the oxidative dehydrogenation ofpropane on the (010) surface of V2O5
Authors: Gilardoni, F Bell, AT Chakraborty, A Boulet, P
Citation: F. Gilardoni et al., Density functional theory calculations of the oxidative dehydrogenation ofpropane on the (010) surface of V2O5, J PHYS CH B, 104(51), 2000, pp. 12250-12255
Reply to Comment on "Theoretical study of interstellar hydroxylamine chemistry: protonation and proton transfer mediated by H-3(+)" [Chem. Phys. 253 (2000) 389-390]
Authors: Boulet, P Gilardoni, F Weber, J Chermette, H Ellinger, Y
Citation: P. Boulet et al., Reply to Comment on "Theoretical study of interstellar hydroxylamine chemistry: protonation and proton transfer mediated by H-3(+)" [Chem. Phys. 253 (2000) 389-390], CHEM PHYS, 253(2-3), 2000, pp. 391-392
Mass volume measurement in severe head injury: accuracy and feasibility oftwo pragmatic methods
Authors: Stocchetti, N Croci, M Spagnoli, D Gilardoni, F Resta, F Colombo, A
Citation: N. Stocchetti et al., Mass volume measurement in severe head injury: accuracy and feasibility oftwo pragmatic methods, J NE NE PSY, 68(1), 2000, pp. 14-17
Theoretical study of interstellar hydroxylamine chemistry: protonation andproton transfer mediated by H-3(+)
Authors: Boulet, P Gilardoni, F Weber, J Chermette, H Ellinger, Y
Citation: P. Boulet et al., Theoretical study of interstellar hydroxylamine chemistry: protonation andproton transfer mediated by H-3(+), CHEM PHYS, 244(2-3), 1999, pp. 163-174
A comparison of ground- and excited-state properties of [Ru(bz)(2)](2+) and bis(eta 6-benzene) ruthenium(II) p-toluenesulfonate using the density functional theory
Authors: Gilardoni, F Weber, J Hauser, A Daul, C
Citation: F. Gilardoni et al., A comparison of ground- and excited-state properties of [Ru(bz)(2)](2+) and bis(eta 6-benzene) ruthenium(II) p-toluenesulfonate using the density functional theory, J COMPUT CH, 20(13), 1999, pp. 1343-1353
Theoretical investigation of the adsorption of methanol on the (110) surface of gamma-alumina
Authors: De Vito, DA Gilardoni, F Kiwi-Minsker, L Morgantini, PY Porchet, S Renken, A Weber, J
Citation: Da. De Vito et al., Theoretical investigation of the adsorption of methanol on the (110) surface of gamma-alumina, THEOCHEM, 469, 1999, pp. 7-14
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