Structure of Uranium(VI) in Strong Alkaline Solutions. A Combined Theoretical and Experimental Investigation von Wahlgren, U, Moll, H, Grenthe, I, Schimmelpfennig, B, Maron, L, Vallet, V, Gropen, O

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Principles of direct 4-component relativistic SCF: application to caesium auride von SAUE, By T., FAEGRI, K., HELGAKER, T., GROPEN, O.

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A mean-field spin-orbit method applicable to correlated wavefunctions von Heß, Bernd A., Marian, Christel M., Wahlgren, Ulf, Gropen, Odd

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Model studies of the chemisorption of hydrogen and oxygen on the Au (1 0 0) surface von Strømsnes, H., Jusuf, S., Bagatur'yants, A., Gropen, O., Wahlgren, U.

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Dynamic dipole polarizabilities for the ground 4 1S and the low-lying 4 1,3P and 5 1,3S excited states of Zn. Calculation of long-range coefficients of Zn2 von Ellingsen, K, Mérawa, M, Rérat, M, Pouchan, C, Gropen, O

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An ab initio study of the electronic spectrum of Zn2 including spin–orbit coupling von Ellingsen, K., Saue, T., Pouchan, C., Gropen, O.

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The molecular structure of niobium pentachloride by quantum chemical calculations and gas electron diffraction von Gove, S.K, Gropen, O, Fægri, K, Haaland, A, Martinsen, K.-G, Strand, T.G, Volden, H.V, Swang, O

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Relativistic effects on the bonding of heavy and superheavy hydrogen halides von Saue, Trond, Faegri, Knut, Gropen, Odd

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Structure and vibrational frequencies of di- and monomethyl aluminum, zinc, and boron derivatives on a chemically modified SiO2 surface von Bagatur’yants, A.A, Ignatov, S.K, Razuvaev, A.G, Gropen, O

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Reduction of uranyl by hydrogen: an ab initio study von Vallet, Valérie, Schimmelpfennig, Bernd, Maron, Laurent, Teichteil, Christian, Leininger, Thierry, Gropen, Odd, Grenthe, Ingmar, Wahlgren, Ulf

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C−H Activation at a Cationic Platinum (II) Center:  A Quantum Chemical Investigation von Heiberg, Hanne, Swang, Ole, Ryan, Olav B, Gropen, Odd

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THE BAND-STRUCTURE OF NICKEL - ABINITIO CALCULATIONS ON THE NI6 CLUSTER von GROPEN, O, ALMLOF, J

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Investigation of the low-lying excited states of PuO22 von Maron, Laurent, Leininger, Thierry, Schimmelpfennig, Bernd, Vallet, Valérie, Heully, Jean-Louis, Teichteil, Christian, Gropen, Odd, Wahlgren, Ulf

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A local approximation for relativistic scalar operators applied to the uranyl ion and to Au 2 von Wahlgren, Ulf, Schimmelpfennig, Bernd, Jusuf, Sutjano, Strömsnes, Hege, Gropen, Odd, Maron, Laurent

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Effective core potential calculations on small molecules containing transition metal atoms von Gropen, O., Wahlgren, U., Pettersson, L.

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Dynamic dipole polarizabilities for the ground 4 1 S and the low-lying 4 1,3 P and 5 1,3 S excited states of Zn. Calculation of long-range coefficients of Zn 2 von Ellingsen, K, Mérawa, M, Rérat, M, Pouchan, C, Gropen, O

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Failure of the CNDO/2 method to predict the barriers and conformations in some conjugated systems von Gropen, O., Seip, H.M.

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Photo-induced tautomerisation of methyltrioxorhenium(vii): the intermediate in olefin metathesis? von Morris, Leigh J., Downs, Anthony J., Greene, Tim M., McGrady, G. Sean, Herrmann, Wolfgang A., Sirsch, Peter, Gropen, Odd, Scherer, Wolfgang

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Model potential SCF calculations on Cl2, Br2, I2 von Gropen, O., Huzinaga, S., McLean, A. D.

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Water Complexes and Hydrolysis of Silicon Tetrafluoride in the Gas Phase:  An ab Initio Study von Ignatov, Stanislav K, Sennikov, Petr G, Ault, Bruce S, Bagatur'yants, Alexander A, Simdyanov, Igor V, Razuvaev, Alexey G, Klimov, Eugene Ju, Gropen, Odd

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