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Results:
1-19
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Results: 19
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:
Ellingsen, K
Merawa, M
Rerat, M
Pouchan, C
Gropen, O
Citation: K. Ellingsen et al., Dynamic dipole polarizabilities for the ground 4 S-1 and the low-lying 4 P-1,P-3 and 5 S-1,S-3 excited states of Zn. Calculation of long-range coefficients of Zn-2, J PHYS B, 34(12), 2001, pp. 2313-2323
Authors:
Morris, LJ
Downs, AJ
Greene, TM
McGrady, SG
Herrmann, WA
Sirsch, P
Scherer, W
Gropen, O
Citation: Lj. Morris et al., Matrix photochemistry of methyltrioxorhenium(VII), CH3ReO3: Formation of the methylidene tautomer H2C=Re(O)(2)OH and its potential relevance to olefin metathesis, ORGANOMETAL, 20(11), 2001, pp. 2344-2352
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:
Bagatur'yants, AA
Ignatov, SK
Razuvaev, AG
Gropen, O
Citation: Aa. Bagatur'Yants et al., Structure and vibrational frequencies of di- and monomethyl aluminum, zinc, and boron derivatives on a chemically modified SiO2 surface, MAT SC S PR, 3(1-2), 2000, pp. 71-77
Authors:
Morris, LJ
Downs, AJ
Greene, TM
McGrady, GS
Herrmann, WA
Sirsch, P
Gropen, O
Scherer, W
Citation: Lj. Morris et al., Photo-induced tautomerisation of methyltrioxorhenium(VII): the intermediate in olefin metathesis?, CHEM COMMUN, (1), 2000, pp. 67-68
Authors:
Ellingsen, K
Matila, T
Saue, T
Aksela, H
Gropen, O
Citation: K. Ellingsen et al., Fully relativistic configuration-interaction calculations on the vibrational and electronic structure of the 2p(-1)-> 3p(pi,sigma)(-2) normal Auger-electron spectrum of HCl - art. no. 032502, PHYS REV A, 6203(3), 2000, pp. 2502
Authors:
Matila, T
Ellingsen, K
Saue, T
Aksela, H
Gropen, O
Citation: T. Matila et al., Vibrational and electronic structure of the 3d(-1)-> 4p(pi,sigma)(-2) normal Auger spectrum of HBr studied by fully relativistic configuration-interaction calculations - art. no. 032712, PHYS REV A, 6103(3), 2000, pp. 2712
Authors:
Haaland, A
Scherer, W
Volden, HV
Verne, HP
Gropen, O
McGrady, GS
Downs, AJ
Dierker, G
Herrmann, WA
Roesky, PW
Geisberger, MR
Citation: A. Haaland et al., Structure of trimethyldioxorhenium, (CH3)(3)ReO2 as studied by spectroscopic methods, gas electron diffraction, and density functional theory calculations. Tilted methyl groups: Agostic C-H center dot center dot center dot Minteractions or bent M-C bonds?, ORGANOMETAL, 19(1), 2000, pp. 22-29
Authors:
Heiberg, H
Johansson, L
Gropen, O
Ryan, OB
Swang, O
Tilset, M
Citation: H. Heiberg et al., A combined experimental and density functional theory investigation of hydrocarbon activation at a cationic platinum(II) diimine aqua complex under mild conditions in a hydroxylic solvent, J AM CHEM S, 122(44), 2000, pp. 10831-10845
Authors:
Heiberg, H
Swang, O
Ryan, OB
Gropen, O
Citation: H. Heiberg et al., C-H activation at a cationic platinum (II) center: A quantum chemical investigation, J PHYS CH A, 103(48), 1999, pp. 10004-10008
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:
Ignatov, SK
Sennikov, PG
Ault, BS
Bagatur'yants, AA
Simdyanov, IV
Razuvaev, AG
Klimov, EJ
Gropen, O
Citation: Sk. Ignatov et al., Water complexes and hydrolysis of silicon tetrafluoride in the gas phase: An ab initio study, J PHYS CH A, 103(41), 1999, pp. 8328-8336
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:
Gove, SK
Gropen, O
Faegri, K
Haaland, A
Martinsen, KG
Strand, TG
Volden, HV
Swang, O
Citation: Sk. Gove et al., The molecular structure of niobium pentachloride by quantum chemical calculations and gas electron diffraction, J MOL STRUC, 486, 1999, pp. 115-119
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1-19
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