Výsledky vyhledávání - "Kjell-Gunnar Martinsen"

The molecular structure of niobium pentachloride by quantum chemical calculations and gas electron diffraction

Autor: Knut Faegri, Odd Gropen, T. G. Strand, S.K Gove, Kjell-Gunnar Martinsen, Arne Haaland, Ole Swang, Hans V. Volden

Publikováno v: Journal of Molecular Structure. :115-119

The molecular structure of NbCl 5 was determined experimentally by gas electron diffraction and computationally by structure optimisation of D 3h models. The bond distances obtained by ab initio calculations with very large basis sets, relativistic e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5f2f4cd8eb47780a096975ef3d9a873b
https://doi.org/10.1016/s0022-2860(99)00042-3

Zobrazit plný text záznamu

Molecular structure of monomeric scandium trichloride by gas electron diffraction and density functional theory calculations on ScCl3 and Sc2Cl6 †

Autor: Kjell-Gunnar Martinsen, Arne Haaland, Georgiy V. Girichev, Dmitry J. Shorokhov, Vasili I. Sokolov

Publikováno v: Journal of the Chemical Society, Dalton Transactions. :2787-2792

The molecular structures of monomeric and dimeric scandium trichloride were optimised by DFT calculations with basis sets of valence shell TZ + P quality, and the molecular force fields and normal vibrational modes calculated. Optimisation of ScCl3 y

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8a6f5614f432dc2bae139f0478af24e6
https://doi.org/10.1039/a803339k

Zobrazit plný text záznamu

The molecular structure of dimethyltellurium dichloride by gas electron diffraction and ab initio calculations at the MP2 level

Autor: Kjell-Gunnar Martinsen, Hans Joachim Breunig, Maxim A. Tafipolsky, Roland Rösler, Hans V. Volden, Arne Haaland

Publikováno v: Journal of Molecular Structure. :301-305

Ab initio calculations at the MP2 level and gas electron-diffraction data of (CH 3 ) 2 TeCl 2 show that the molecular structure is pseudo-trigonal bipyramidal with the two methyl groups occupying equatorial positions and the two Cl atoms axial positi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d9b621c8d32edfdcfd215a971c1503d8
https://doi.org/10.1016/s0022-2860(97)00072-0

Zobrazit plný text záznamu

Molecular structures of the sixth period metal pentachlorides, MCl5 (M = Ta, W or Re), determined by gas electron diffraction; is Jahn–Teller distortion of WCl5 quenched by spin–orbit coupling?

Autor: Carlaxel Anderson, Wolfgang A. Herrmann, Ole Swang, Sandra Bogdanovic, Arne Haaland, Hans V. Volden, Knut Faegri, Christina Persson, T. G. Strand, Kjell-Gunnar Martinsen

Publikováno v: Journal of the Chemical Society, Dalton Transactions. :1013-1018

The molecular structure of TaCl 5 has been optimised under D 3h symmetry by density-functional theory calculations. Calculation of the molecular force field and vibrational frequencies showed that the optimised structure corresponds to a minimum on t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0118b5b75205dd1253bfc3f87babe666
https://doi.org/10.1039/a604314c

Zobrazit plný text záznamu

Gas-phase vibrational spectrum and molecular geometry of TeCl4

Autor: Rudy J. M. Konings, Attila Kovács, Kjell-Gunnar Martinsen

Publikováno v: Journal of the Chemical Society, Dalton Transactions. :1037-1042

The gas electron diffraction pattern and the infrared spectrum of gaseous TeCl 4 have been measured and ab initio molecular orbital calculations performed for the TeCl 4 molecule using second-order Moller–Plesset theory (MP2) and a relativistic eff

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6c29f3dd16940f988e3c8cd8c4b309e3
https://doi.org/10.1039/a605574e

Zobrazit plný text záznamu

Molecular structure and force field of boron tribromide as determined from combined analysis of gas electron diffraction and spectroscopic data and supported by quantum-chemical density-functional calculations

Autor: Kjell-Gunnar Martinsen, Natalja Vogt, Jürgen Vogt, Vasilii S. Lyutsarev, Hans V. Volden

Publikováno v: Journal of Molecular Structure. 385:159-165

The thermal-average parameters of BBr 3 at 21(1) °C were obtained from a conventional analysis of gas electron diffraction (GED) data ( r g (BBr) = 190.0(4) pm). The equilibrium structure and the force constants were refined from a joint analysis

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a883e288f0db5587dba12ec41db12260
https://doi.org/10.1016/s0022-2860(96)09435-5

Zobrazit plný text záznamu

Gas-Phase Structure of the Monomeric Alkylgallium(I) Compound Ga[C(SiMe3)3] and the Electrochemical Behavior of Ga4[C(SiMe3)3]4 and In4[C(SiMe3)3]4 with EPR Evidence for a Ga4R4 Radical Anion

Autor: Uwe Schütz, Wolfgang Kaim, Eberhard Waldhör, Werner Uhl, Hans V. Volden, Arne Haaland, Kjell-Gunnar Martinsen

Publikováno v: Organometallics. 15:1146-1150

The gallium(I) compound Ga4[C(SiMe3)3]4 (1) with a tetrahedral Ga4 core in the solid state gives on evaporation the monomeric Ga(I) alkyl Ga[C(SiMe3)3] with the unique structural situation of a Ga ...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4ede886bc5f9ba817ce454633d80ee48
https://doi.org/10.1021/om950755s

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání