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Results: 1-12 |
Results: 12
Theoretical and experimental study of tri- and tetrahalodiorganostannate (IV) salts. Solvent dependence in the reaction of dimethyltin dibromide withtetraethylammonium bromide
Authors: Tudela, D Diaz, M Alvaro, DA Ignacio, J Seijo, L Belsky, VK
Citation: D. Tudela et al., Theoretical and experimental study of tri- and tetrahalodiorganostannate (IV) salts. Solvent dependence in the reaction of dimethyltin dibromide withtetraethylammonium bromide, ORGANOMETAL, 20(4), 2001, pp. 654-662
Ab initio model potential embedded-cluster calculation of the geometric structure of T1(+) monomer and dimer centers in KCl
Authors: Pascual, JL Barandiaran, Z Seijo, L
Citation: Jl. Pascual et al., Ab initio model potential embedded-cluster calculation of the geometric structure of T1(+) monomer and dimer centers in KCl, J MOL ST-TH, 537, 2001, pp. 151-161
Alternative configuration interaction expansions for transition metal ionswith intermediate oxidation states in crystals: The structure and absorption spectrum of Cs2GeF6 : Mn4+
Authors: Barandiaran, Z Seijo, L
Citation: Z. Barandiaran et L. Seijo, Alternative configuration interaction expansions for transition metal ionswith intermediate oxidation states in crystals: The structure and absorption spectrum of Cs2GeF6 : Mn4+, J CHEM PHYS, 115(15), 2001, pp. 7061-7065
Structure and spectroscopy of Pa4+ defects in CS2ZrCl6. An ab initio theoretical study
Authors: Seijo, L Barandiaran, Z
Citation: L. Seijo et Z. Barandiaran, Structure and spectroscopy of Pa4+ defects in CS2ZrCl6. An ab initio theoretical study, J CHEM PHYS, 115(12), 2001, pp. 5554-5560
The ab initio model potential method with the spin-free relativistic scheme by eliminating small components Hamiltonian
Authors: Motegi, K Nakajima, T Hirao, K Seijo, L
Citation: K. Motegi et al., The ab initio model potential method with the spin-free relativistic scheme by eliminating small components Hamiltonian, J CHEM PHYS, 114(14), 2001, pp. 6000-6006
The ab initio model potential method: Lanthanide and actinide elements
Authors: Seijo, L Barandiaran, Z Harguindey, E
Citation: L. Seijo et al., The ab initio model potential method: Lanthanide and actinide elements, J CHEM PHYS, 114(1), 2001, pp. 118-129
Ab initio model potential embedded cluster calculation of the absorption spectrum of Cs2GeF6 : Mn4+. Large discrepancies between theory and experiment
Authors: Seijo, L Barandiaran, Z McClure, DS
Citation: L. Seijo et al., Ab initio model potential embedded cluster calculation of the absorption spectrum of Cs2GeF6 : Mn4+. Large discrepancies between theory and experiment, INT J QUANT, 80(4-5), 2000, pp. 623-635
Structure and spectroscopy of Cr3+ defects in KMgF3, KZnF3, and CsCaF3 crystals. An ab initio model potential embedded cluster study
Authors: Lopez-Moraza, S Seijo, L Barandiaran, Z
Citation: S. Lopez-moraza et al., Structure and spectroscopy of Cr3+ defects in KMgF3, KZnF3, and CsCaF3 crystals. An ab initio model potential embedded cluster study, INT J QUANT, 77(6), 2000, pp. 961-972
Spin-free relativistic no-pair ab initio core model potentials and valencebasis sets for the transition metal elements Sc to Hg. - II
Authors: Rakowitz, F Marian, CM Seijo, L
Citation: F. Rakowitz et al., Spin-free relativistic no-pair ab initio core model potentials and valencebasis sets for the transition metal elements Sc to Hg. - II, J CHEM PHYS, 111(23), 1999, pp. 10436-10443
Spin-free relativistic no-pair ab initio core model potentials and valencebasis sets for the transition metal elements Sc to Hg. Part I
Authors: Rakowitz, F Marian, CM Seijo, L Wahlgren, U
Citation: F. Rakowitz et al., Spin-free relativistic no-pair ab initio core model potentials and valencebasis sets for the transition metal elements Sc to Hg. Part I, J CHEM PHYS, 110(8), 1999, pp. 3678-3686
The ab initio model potential method: Third-series transition metal elements
Authors: Casarrubios, M Seijo, L
Citation: M. Casarrubios et L. Seijo, The ab initio model potential method: Third-series transition metal elements, J CHEM PHYS, 110(2), 1999, pp. 784-796
Wood-Boring ab initio model potential relativistic treatment of Ce and CeO
Authors: Diaz-Megias, S Seijo, L
Citation: S. Diaz-megias et L. Seijo, Wood-Boring ab initio model potential relativistic treatment of Ce and CeO, CHEM P LETT, 299(6), 1999, pp. 613-622
Risultati: 1-12 |