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Results: 1-25 | 26-30
Results: 1-25/30
Bonding analysis of transition metal NNR end-on complexes and comparison with isoelectronic NNR2 species
Authors: Kahlal, S Saillard, JY Hamon, JR Manzur, C Carrillo, D
Citation: S. Kahlal et al., Bonding analysis of transition metal NNR end-on complexes and comparison with isoelectronic NNR2 species, NEW J CHEM, 25(2), 2001, pp. 231-242
Stability of tetraoxocyclobutane revised: Perturbation theory and density functional scheme
Authors: Jiao, HJ Frapper, G Halet, JF Saillard, JY
Citation: Hj. Jiao et al., Stability of tetraoxocyclobutane revised: Perturbation theory and density functional scheme, J PHYS CH A, 105(24), 2001, pp. 5945-5947
The electronic structure of tantalum (oxy)nitrides TaON and Ta3N5
Authors: Fang, CM Orhan, E de Wijs, GA Hintzen, HT de Groot, RA Marchand, R Saillard, JY de With, G
Citation: Cm. Fang et al., The electronic structure of tantalum (oxy)nitrides TaON and Ta3N5, J MAT CHEM, 11(4), 2001, pp. 1248-1252
Synthesis, structural, and theoretical analysis of Ru-4(CO)(12)(mu-PF2)(mu(4)-P): Is the mu(4)-P atom a three-electron or a five-electron donor?
Authors: Kahlal, S Wang, WB Scoles, L Udachin, KA Saillard, JY Carty, AJ
Citation: S. Kahlal et al., Synthesis, structural, and theoretical analysis of Ru-4(CO)(12)(mu-PF2)(mu(4)-P): Is the mu(4)-P atom a three-electron or a five-electron donor?, ORGANOMETAL, 20(22), 2001, pp. 4469-4475
A density functional theory investigation of the polytopal rearrangement of square-based pyramidal clusters: C5H5+, P-5(+) and Sb-5(+)
Authors: Lokbani-Azzouz, NS Costuas, K Halet, JF Saillard, JY
Citation: Ns. Lokbani-azzouz et al., A density functional theory investigation of the polytopal rearrangement of square-based pyramidal clusters: C5H5+, P-5(+) and Sb-5(+), J MOL ST-TH, 571, 2001, pp. 1-6
Synthesis, characterization, structural and theoretical analysis of a new rare-earth boride carbide: Lu3BC3
Authors: Oeckler, O Jardin, C Mattausch, H Simon, A Halet, JF Saillard, JY Bauer, J
Citation: O. Oeckler et al., Synthesis, characterization, structural and theoretical analysis of a new rare-earth boride carbide: Lu3BC3, Z ANORG A C, 627(6), 2001, pp. 1389-1394
Electron counting and bonding analysis in triruthenium clusters containingsulfoximido ligands: true or false electron-deficient systems?
Authors: Saillard, JY Kahlal, S Ferrand, V Stoeckli-Evans, H Suss-Fink, G
Citation: Jy. Saillard et al., Electron counting and bonding analysis in triruthenium clusters containingsulfoximido ligands: true or false electron-deficient systems?, J ORGMET CH, 620(1-2), 2001, pp. 119-126
Bonding analysis of inorganic transition-metal cubic clusters. 6. Copper(I)-Dithiolato species and related compounds
Authors: Garland, MT Halet, JF Saillard, JY
Citation: Mt. Garland et al., Bonding analysis of inorganic transition-metal cubic clusters. 6. Copper(I)-Dithiolato species and related compounds, INORG CHEM, 40(14), 2001, pp. 3342-3350
Theoretical, thermodynamic, spectroscopic, and structural studies of the consequences of one-electron oxidation on the Fe-X bonds in 17-and 18-electron CpFe(dppe)X complexes (X = F, Cl, Br, I, H, CH3)
Authors: Tilset, M Fjeldahl, I Hamon, JR Hamon, P Toupet, L Saillard, JY Costuas, K Haynes, A
Citation: M. Tilset et al., Theoretical, thermodynamic, spectroscopic, and structural studies of the consequences of one-electron oxidation on the Fe-X bonds in 17-and 18-electron CpFe(dppe)X complexes (X = F, Cl, Br, I, H, CH3), J AM CHEM S, 123(41), 2001, pp. 9984-10000
1,2 and 1,6 additions of lithium reagents to gamma-methylenepyran Fischer-type carbene complexes; Evolution of the 1,2 and 1,6 adducts to unsaturatedcarbene complexes indirectly stabilized by a heteroatom, and to pyranylidene carbene complexes
Authors: Caro, B Le Poul, P Robin-Le Guen, F Senechal-Tocquer, MC Saillard, JY Kahlal, S Ouahab, L Golhen, S
Citation: B. Caro et al., 1,2 and 1,6 additions of lithium reagents to gamma-methylenepyran Fischer-type carbene complexes; Evolution of the 1,2 and 1,6 adducts to unsaturatedcarbene complexes indirectly stabilized by a heteroatom, and to pyranylidene carbene complexes, EUR J ORG C, (4), 2000, pp. 577-581
A DFT investigation of the molecular and electronic structures of 19-electron transition-metal sandwich complexes
Authors: Ogliaro, F Halet, JF Astruc, D Saillard, JY
Citation: F. Ogliaro et al., A DFT investigation of the molecular and electronic structures of 19-electron transition-metal sandwich complexes, NEW J CHEM, 24(5), 2000, pp. 257-259
Theoretical and structural analysis of the unsymmetrical bridging coordination mode of the nonconical PNR2 ligands in Ru-4(CO)(12)(mu(4)-PNR2)(2) clusters
Authors: Kahlal, S Udachin, KA Scoles, L Carty, AJ Saillard, JY
Citation: S. Kahlal et al., Theoretical and structural analysis of the unsymmetrical bridging coordination mode of the nonconical PNR2 ligands in Ru-4(CO)(12)(mu(4)-PNR2)(2) clusters, ORGANOMETAL, 19(12), 2000, pp. 2251-2257
Rb-2n(Mo9S11)(Mo6nS6n+2) (n=1 to 4): A novel family of superconducting molybdenum cluster compounds
Authors: Picard, S Saillard, JY Gougeon, P Noel, H Potel, M
Citation: S. Picard et al., Rb-2n(Mo9S11)(Mo6nS6n+2) (n=1 to 4): A novel family of superconducting molybdenum cluster compounds, J SOL ST CH, 155(2), 2000, pp. 417-426
A theoretical investigation of bonding and electron counting in compounds structurally related to Ti5Te4
Authors: Bouayed, M Rabaa, H Le Beuze, A Deputier, S Guerin, R Saillard, JY
Citation: M. Bouayed et al., A theoretical investigation of bonding and electron counting in compounds structurally related to Ti5Te4, J SOL ST CH, 154(2), 2000, pp. 384-389
Structural, electronic, and magnetic properties of ternary rare-earth metal borocarbides R5B2C5 (R = Y, Ce-Tm) containing BC2 "molecules"
Authors: Bidaud, E Hiebl, K Hoffmann, RD Pottgen, R Jardin, C Bauer, J Gautier, R Gougeon, P Saillard, JY Halet, JF
Citation: E. Bidaud et al., Structural, electronic, and magnetic properties of ternary rare-earth metal borocarbides R5B2C5 (R = Y, Ce-Tm) containing BC2 "molecules", J SOL ST CH, 154(1), 2000, pp. 286-295
Synthesis, characterization, structural and theoretical analysis of a series of electron deficient, monomeric thallium iron carbonylate isostructuraland isolobal to diiron nonacarbonyl
Authors: Whitmire, KH Guzman-Jimenez, IY Saillard, JY Kahlal, S
Citation: Kh. Whitmire et al., Synthesis, characterization, structural and theoretical analysis of a series of electron deficient, monomeric thallium iron carbonylate isostructuraland isolobal to diiron nonacarbonyl, J ORGMET CH, 614, 2000, pp. 243-254
The cluster dication [H6Ru4(C6H6)(4)](2+) revisited: the first cluster complex containing an intact dihydrogen ligand?
Authors: Suss-Fink, G Plasseraud, L Maisse-Francois, A Stoeckli-Evans, H Berke, H Fox, T Gautier, R Saillard, JY
Citation: G. Suss-fink et al., The cluster dication [H6Ru4(C6H6)(4)](2+) revisited: the first cluster complex containing an intact dihydrogen ligand?, J ORGMET CH, 609(1-2), 2000, pp. 196-203
Synthesis, characterization, and structural and theoretical analysis of Gd4B3C4: A novell rare earth metal borocarbide containing two different boron-carbon arrangements
Authors: Jardin, C Oeckler, O Mattausch, H Simon, A Halet, JF Saillard, JY Bauer, J
Citation: C. Jardin et al., Synthesis, characterization, and structural and theoretical analysis of Gd4B3C4: A novell rare earth metal borocarbide containing two different boron-carbon arrangements, INORG CHEM, 39(26), 2000, pp. 5895-5900
Search for new allotropic forms of carbon dioxide and carbon disulfide: A density functional study of CX2-based oligomers (X = O, S)
Authors: Frapper, G Saillard, JY
Citation: G. Frapper et Jy. Saillard, Search for new allotropic forms of carbon dioxide and carbon disulfide: A density functional study of CX2-based oligomers (X = O, S), J AM CHEM S, 122(22), 2000, pp. 5367-5370
Bonding analysis in inorganic transition-metal cubic clusters, 5 - M-8(mu(8)-E ')(mu(4)-E)(6)L-8 species centered and hexacapped by main-group atoms
Authors: Gautier, R Ogliaro, F Halet, JF Saillard, JY Baerends, EJ
Citation: R. Gautier et al., Bonding analysis in inorganic transition-metal cubic clusters, 5 - M-8(mu(8)-E ')(mu(4)-E)(6)L-8 species centered and hexacapped by main-group atoms, EUR J INORG, (7), 1999, pp. 1161-1168
Bonding analysis in inorganic transition-metal cubic clusters, 4 - The distorted Pd-9(mu :eta(5),eta(2)-As-2)(4)(PPh3)(8) architecture
Authors: Gautier, R Halet, JF Saillard, JY
Citation: R. Gautier et al., Bonding analysis in inorganic transition-metal cubic clusters, 4 - The distorted Pd-9(mu :eta(5),eta(2)-As-2)(4)(PPh3)(8) architecture, EUR J INORG, (4), 1999, pp. 673-678
An example of the coexistence of octahedral with tetrahedral metal clusters: the ternary phosphide Ni4Nb5P4. Structural and theoretical analyses
Authors: Charki, F Deputier, S Benard-Rocherulle, P Guerin, R Bouayed, M Le Beuze, A Saillard, JY
Citation: F. Charki et al., An example of the coexistence of octahedral with tetrahedral metal clusters: the ternary phosphide Ni4Nb5P4. Structural and theoretical analyses, SOLID ST SC, 1(7-8), 1999, pp. 607-622
A molecular orbital investigation of the diamagnetism and stability of triangular 50-electron M3Ln clusters
Authors: Garland, MT Costuas, K Kahlal, S Saillard, JY
Citation: Mt. Garland et al., A molecular orbital investigation of the diamagnetism and stability of triangular 50-electron M3Ln clusters, NEW J CHEM, 23(5), 1999, pp. 509-515
Magnetic properties of dinuclear copper(II) complexes with simple pyrazolate bridges
Authors: Spodine, E Atria, AM Valenzuela, J Jalocha, J Manzur, J Garcia, AM Garland, MT Pena, O Saillard, JY
Citation: E. Spodine et al., Magnetic properties of dinuclear copper(II) complexes with simple pyrazolate bridges, J CHEM S DA, (17), 1999, pp. 3029-3034
Theoretical investigation of electron-deficient and or paramagnetic complexes composed of the CpFe(dppe) unit and of related compounds
Authors: Costuas, K Saillard, JY
Citation: K. Costuas et Jy. Saillard, Theoretical investigation of electron-deficient and or paramagnetic complexes composed of the CpFe(dppe) unit and of related compounds, ORGANOMETAL, 18(13), 1999, pp. 2505-2512
Risultati: 1-25 | 26-30