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Results:
1-18
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Results: 18
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
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
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
Authors:
Wolf, D
Gresson, R
Stines, J
Daul, C
Troufleau, P
Citation: D. Wolf et al., 3D reconstruction of microcalcification clusters, J RADIOLOG, 82(6), 2001, pp. 647-651
Authors:
Chermette, H
Ciofini, I
Mariotti, F
Daul, C
Citation: H. Chermette et al., Correct dissociation behavior of radical ions such as H-2(+) in density functional calculations, J CHEM PHYS, 114(4), 2001, pp. 1447-1453
Authors:
Albano, G
Belser, P
Daul, C
Citation: G. Albano et al., pi level tuning in a series of diimine ligands based on density functional theory: Application to photonic devices, INORG CHEM, 40(7), 2001, pp. 1408-1413
Authors:
De Corte, D
Schlapfer, CW
Daul, C
Citation: D. De Corte et al., A density functional theory study of the conformational properties of 1,2-ethanediamine: protonation and solvent effects, THEOR CH AC, 105(1), 2000, pp. 39-45
Authors:
Daul, C
Rosch, R
Claus, B
Citation: C. Daul et al., Building a color classification system for textured and hue homogeneous surfaces: system calibration and algorithm, MACH VIS A, 12(3), 2000, pp. 137-148
Authors:
Daul, S
Ciofini, I
Daul, C
White, SR
Citation: S. Daul et al., Full-CI quantum chemistry using the density matrix renormalization group, INT J QUANT, 79(6), 2000, pp. 331-342
Authors:
Atanasov, M
Barras, JL
Benco, L
Daul, C
Citation: M. Atanasov et al., Electronic structure, chemical bonding, and vibronic coupling in Mn-IV/Mn-III mixed valent LixMn2O4 spinels and their effect on the dynamics of intercalated Li: A cluster study using DFT, J AM CHEM S, 122(19), 2000, pp. 4718-4728
Authors:
Barone, V
Bencini, A
Ciofini, I
Daul, C
Citation: V. Barone et al., Structure and magnetic properties of oxoverdazyl radicals and biradicals by an integrated computational approach, J PHYS CH A, 103(21), 1999, pp. 4275-4282
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
Authors:
Atanasov, M
Daul, C
Barras, JL
Benco, L
Deiss, E
Citation: M. Atanasov et al., Polarizable continuum model for lithium interface transitions between a liquid electrolyte and an intercalation electrode, SOL ST ION, 121(1-4), 1999, pp. 165-174
Authors:
Deghoul, F
Chermette, H
Rogemond, F
Moncorge, R
Stuckl, C
Daul, C
Citation: F. Deghoul et al., Metal-centered and ligand-to-metal charge-transfer transitions of [CrO4](4-) and [MnO4](3-) LiNbGeO5 : Cr4+ and Sr-5(VO4)(3)F : Mn5+ using a density-functional-theory approach, PHYS REV B, 60(4), 1999, pp. 2404-2409
Authors:
Benco, L
Barras, JL
Atanasov, M
Daul, C
Deiss, E
Citation: L. Benco et al., First principles calculation of electrode material for lithium intercalation batteries: TiS2 and LiTi2S4 cubic spinel structures, J SOL ST CH, 145(2), 1999, pp. 503-510
Authors:
Aramburu, JA
Moreno, M
Doclo, K
Daul, C
Barriuso, MT
Citation: Ja. Aramburu et al., Crystal-field and charge transfer transitions due to Cr3+ ions in fluorides, J CHEM PHYS, 110(3), 1999, pp. 1497-1507
Authors:
Kundu, TK
Bruyndonckx, R
Daul, C
Manoharan, PT
Citation: Tk. Kundu et al., A density functional approach to the Jahn-Teller effect of [Cu(en)(3)](2+)as a model for a macrobicyclic cage complex of copper(II), INORG CHEM, 38(17), 1999, pp. 3931
Authors:
Daul, C
Graebling, P
Hirsch, E
Citation: C. Daul et al., From the Hough transform to a new approach for the detection and approximation of elliptical arcs, COMP VIS IM, 72(3), 1998, pp. 215-236
Risultati:
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