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Results:
1-14
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Results: 14
Authors:
Schimmelpfennig, B
Wahlgren, U
Gropen, O
Haaland, A
Citation: B. Schimmelpfennig et al., The gas phase structures of tungsten chlorides: density functional theory calculations on WCl6, WCl5, WCl4, WCl3 and W2Cl6, J CHEM S DA, (10), 2001, pp. 1616-1620
Authors:
Stromsnes, H
Jusuf, S
Bagatur'yants, A
Gropen, O
Wahlgren, U
Citation: H. Stromsnes et al., Model studies of the chemisorption of hydrogen and oxygen on the Au (100) surface, THEOR CH AC, 106(5), 2001, pp. 329-338
Authors:
Bolvin, H
Wahlgren, U
Gropen, O
Marsden, C
Citation: H. Bolvin et al., Ab initio study of the two iso-electronic molecules NpO4- and UO42-, J PHYS CH A, 105(46), 2001, pp. 10570-10576
Authors:
Stromsnes, H
Jusuf, S
Schimmelpfennig, B
Wahlgren, U
Gropen, O
Citation: H. Stromsnes et al., A theoretical study of the chemisorption of molecular hydrogen on a seven atom gold cluster, J MOL STRUC, 567, 2001, pp. 137-143
Authors:
Koivisto, R
Launila, O
Schimmelpfennig, B
Simard, B
Wahlgren, U
Citation: R. Koivisto et al., Spectroscopy and MRCl calculations on CrF and CrCl, J CHEM PHYS, 114(20), 2001, pp. 8855-8866
Authors:
Vallet, V
Wahlgren, U
Schimmelpfennig, B
Moll, H
Szabo, Z
Grenthe, I
Citation: V. Vallet et al., Solvent effects on uranium(VI) fluoride and hydroxide complexes studied byEXAFS and quantum chemistry, INORG CHEM, 40(14), 2001, pp. 3516-3525
Authors:
Gagliardi, L
Schimmelpfennig, B
Maron, L
Wahlgren, U
Willetts, A
Citation: L. Gagliardi et al., Spin-orbit coupling within a two-component density functional theory approach: theory, implementation and first applications, CHEM P LETT, 344(1-2), 2001, pp. 207-212
Authors:
Vallet, V
Wahlgren, U
Schimmelpfennig, B
Szabo, Z
Grenthe, I
Citation: V. Vallet et al., The mechanism for water exchange in [UO2(H2O)(5)](2+) and [UO2(oxalate)(2)(H2O)](2-), as studied by quantum chemical methods, J AM CHEM S, 123(48), 2001, pp. 11999-12008
Authors:
Farkas, I
Banyai, I
Szabo, Z
Wahlgren, U
Grenthe, I
Citation: I. Farkas et al., Rates and mechanisms of water exchange of UO22+(aq) and UO2(oxalate)F(H2O)(2)(-): A variable-temperature O-17 and F-19 NMR study, INORG CHEM, 39(4), 2000, pp. 799-805
Authors:
Vallet, V
Maron, L
Schimmelpfennig, B
Leininger, T
Teichteil, C
Gropen, O
Grenthe, I
Wahlgren, U
Citation: V. Vallet et al., Reduction behavior of the early actinyl ions in aqueous solution, J PHYS CH A, 103(46), 1999, pp. 9285-9289
Authors:
Wahlgren, U
Moll, H
Grenthe, I
Schimmelpfennig, B
Maron, L
Vallet, V
Gropen, O
Citation: U. Wahlgren et al., Structure of uranium(VI) in strong alkaline solutions. A combined theoretical and experimental investigation, J PHYS CH A, 103(41), 1999, pp. 8257-8264
Authors:
Vallet, V
Schimmelpfennig, B
Maron, L
Teichteil, C
Leininger, T
Gropen, O
Grenthe, I
Wahlgren, U
Citation: V. Vallet et al., Reduction of uranyl by hydrogen: an ab initio study, CHEM PHYS, 244(2-3), 1999, pp. 185-193
Authors:
Maron, L
Leininger, T
Schimmelpfennig, B
Vallet, V
Heully, JL
Teichteil, C
Gropen, O
Wahlgren, U
Citation: L. Maron et al., Investigation of the low-lying excited states of PuO22+, CHEM PHYS, 244(2-3), 1999, pp. 195-201
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
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