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Results:
1-16
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Results: 16
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:
Chermette, H
Ymmud, IV
Citation: H. Chermette et Iv. Ymmud, Structure and stability of hydrogen clusters up to H-21(+) - art. no. 165427, PHYS REV B, 6316(16), 2001, pp. 5427
Authors:
Chermette, H
Rogemond, F
El Beqqali, O
Paul, JF
Donnet, C
Martin, JM
Le Mogne, T
Citation: H. Chermette et al., Lubricating properties of molybdenum disulphur: a density functional theory study, SURF SCI, 472(1-2), 2001, pp. 97-110
Authors:
Chillier, X
Boulet, P
Chermette, H
Salama, F
Weber, J
Citation: X. Chillier et al., Absorption and emission spectroscopy of matrix-isolated benzo[g,h,i]perylene: An experimental and theoretical study for astrochemical applications, J CHEM PHYS, 115(4), 2001, pp. 1769-1776
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:
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
Authors:
Domard, M
Peters, D
Hariri, MA
Pautet, F
Fillion, H
Chermette, H
Citation: M. Domard et al., A computational approach of the selective free-radical bromination of 4,5-dimethyl-thiazole with N-bromosuccinimide, J MOL ST-TH, 499, 2000, pp. 141-149
Authors:
Proynov, E
Chermette, H
Salahub, DR
Citation: E. Proynov et al., New tau-dependent correlation functional combined with a modified Becke exchange, J CHEM PHYS, 113(22), 2000, pp. 10013-10027
Authors:
Joanteguy, S
Pfister-Guillouzo, G
Chermette, H
Citation: S. Joanteguy et al., Assessment of density functional methods for the calculation of ionizationpotentials of unsaturated molecules, J PHYS CH A, 103(18), 1999, pp. 3505-3511
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
Authors:
Chermette, H
Citation: H. Chermette, Chemical reactivity indexes in density functional theory, J COMPUT CH, 20(1), 1999, pp. 129-154
Authors:
Farizon, B
Farizon, M
Razafinjanahary, H
Chermette, H
Citation: B. Farizon et al., Structure and energetics of H-15(+) hydrogen clusters, PHYS REV B, 60(6), 1999, pp. 3821-3828
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:
Chermette, H
Citation: H. Chermette, Density functional theory - A powerful tool for theoretical studies in coordination chemistry, COORD CH RE, 180, 1998, pp. 699-721
Risultati:
1-16
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