Actinide Chemistry in Solution, Quantum Chemical Methods and Models
Vallet, Valerie, Macak, Peter, Wahlgren, Ulf, Grenthe, Ingmar
Published in Theoretical chemistry accounts (01.03.2006)
Published in Theoretical chemistry accounts (01.03.2006)
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Journal Article
The mechanism of water exchange in AmO2(H2O)(5)(2+) and in the isoelectronic UO2(H2O)(5)(+) and NpO2(H2O)(5)(2+) complexes as studied by quantum chemical methods
Vallet, V., Privalov, Timofei, Wahlgren, U., Grenthe, Ingmar
Published in Journal of the American Chemical Society (30.06.2004)
Published in Journal of the American Chemical Society (30.06.2004)
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Journal Article
Structure of Uranium(VI) in Strong Alkaline Solutions. A Combined Theoretical and Experimental Investigation
Wahlgren, U, Moll, H, Grenthe, I, Schimmelpfennig, B, Maron, L, Vallet, V, Gropen, O
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.10.1999)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.10.1999)
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Journal Article
Spin–orbit corrections to NMR shielding constants from density functional theory. How important are the two-electron terms?
Malkina, O.L., Schimmelpfennig, B., Kaupp, M., Hess, B.A., Chandra, P., Wahlgren, U., Malkin, V.G.
Published in Chemical physics letters (30.10.1998)
Published in Chemical physics letters (30.10.1998)
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Journal Article
Structure and Thermodynamics of Uranium(VI) Complexes in the Gas Phase: A Comparison of Experimental and ab Initio Data
Privalov, Timofei, Schimmelpfennig, Bernd, Wahlgren, Ulf, Grenthe, Ingmar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.11.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.11.2002)
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Journal Article
On the Structure of Np(VI) and Np(VII) Species in Alkaline Solution Studied by EXAFS and Quantum Chemical Methods
Bolvin, Hélène, Wahlgren, U, Moll, Henry, Reich, Tobias, Geipel, Gerhard, Fanghänel, Thomas, Grenthe, Ingmar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.12.2001)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.12.2001)
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Journal Article
Ab Initio Studies of Np and Pu Complexes and Reactions in the Gas Phase: Structures and Thermodynamics
Schimmelpfennig, Bernd, Privalov, Timofei, Wahlgren, Ulf, Grenthe, Ingmar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.11.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.11.2003)
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Journal Article
Spin−Orbit Effects in Electron Transfer in Neptunyl(VI)−Neptunyl(V) Complexes in Solution
Fromager, Emmanuel, Vallet, Valerie, Schimmelpfennig, Bernd, Macak, Peter, Privalov, Timofei, Wahlgren, Ulf
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.06.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.06.2005)
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Journal Article
Reduction of Uranyl(VI) by Iron(II) in Solutions: An Ab Initio Study
Privalov, Timofei, Schimmelpfennig, Bernd, Wahlgren, Ulf, Grenthe, Ingmar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.01.2003)
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Journal Article
Electron Transfer in Neptunyl(VI)−Neptunyl(V) Complexes in Solution
Macak, Peter, Fromager, Emmanuel, Privalov, Timofei, Schimmelpfennig, Bernd, Grenthe, Ingmar, Wahlgren, Ulf
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.06.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.06.2005)
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Journal Article
Mechanisms of Ligand Exchange Reactions, A Quantum Chemical Study of the Reaction UO22+(Aq) + HF(Aq) → UO2F+(Aq) + H+(Aq)
TORAISHI, Takashi, PRIVALOV, Timofei, SCHIMMELPFENNIG, Bernd, WAHLGREN, Ulf, GRENTHE, Ingmar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.11.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.11.2003)
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Journal Article
Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods
Vallet, Valérie, Wahlgren, Ulf, Grenthe, Ingmar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.12.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.12.2012)
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Journal Article
Model studies of the chemisorption of hydrogen and oxygen on the Au (1 0 0) surface
Strømsnes, H., Jusuf, S., Bagatur'yants, A., Gropen, O., Wahlgren, U.
Published in Theoretical chemistry accounts (01.10.2001)
Published in Theoretical chemistry accounts (01.10.2001)
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Journal Article
Spectroscopy of NbO: Characterization of the Doublet Manifold
Launila, O., Schimmelpfennig, B., Fagerli, H., Gropen, O., Taklif, A.G., Wahlgren, U.
Published in Journal of molecular spectroscopy (01.11.1997)
Published in Journal of molecular spectroscopy (01.11.1997)
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Journal Article
A computational and experimental study on the Jahn-Teller effect in the hydrated copper (II) ion. Comparisons with hydrated nickel (II) ions in aqueous solution and solid Tutton's salts
Beagley, B, Eriksson, A, Lindgren, J, Persson, I, Pettersson, L G M, Sandstrom, M, Wahlgren, U, White, E W
Published in Journal of physics. Condensed matter (03.04.1989)
Published in Journal of physics. Condensed matter (03.04.1989)
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Journal Article