Publications Ingemar Grenthe

The latest publications available at KTH Publication Data Base DiVA

[1]
V. Vallet and I. Grenthe, "Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data," Inorganic Chemistry, vol. 56, no. 24, pp. 15231-15240, 2017.
[5]
P. L. Zanonato, P. Di Bernardo and I. Grenthe, "A calorimetric study of the hydrolysis and peroxide complex formation of the uranyl(VI) ion," Dalton Transactions, vol. 43, no. 6, pp. 2378-2383, 2014.
[8]
P. L. Zanonato, P. Di Bernardo and I. Grenthe, "Chemical equilibria in the binary and ternary uranyl(VI)-hydroxide-peroxide systems," Dalton Transactions, vol. 41, no. 12, pp. 3380-3386, 2012.
[10]
V. Vallet, U. Wahlgren and I. Grenthe, "Probing the nature of chemical bonding in uranyl(VI) complexes with quantum chemical methods," Journal of Physical Chemistry A, vol. 116, no. 50, pp. 12373-12380, 2012.
[11]
Z. Szabo and I. Grenthe, "(17)O NMR study of the oxygen exchange between uranyl(VI) oxygen and water oxygen in acidic and strongly alkaline solutions," Abstract of Papers of the American Chemical Society, vol. 242, pp. 102-NUCL, 2011.
[13]
G. Agfors et al., KEMI : den gränslösa vetenskapen. Kungl. Vetenskapsakademien och Kungl. Ingenjörsvetenskapsakademien, 2011.
[19]
P. Wahlin et al., "Water Exchange Mechanism in the First Excited State of Hydrated Uranyl(VI)," Inorganic Chemistry, vol. 48, no. 23, pp. 11310-11313, 2009.
[20]
F. Real et al., "Ab initio study of the mechanism for photoinduced yl-oxygen exchange in uranyl(VI) in acidic aqueous solution," Journal of the American Chemical Society, vol. 130, no. 35, pp. 11742-11751, 2008.
[21]
Z. Szabo and I. Grenthe, "NUCL 118-Multinuclear NMR study of the structure and ligand exchange dynamics of uranium(VI) complexes," Abstract of Papers of the American Chemical Society, vol. 235, 2008.
[22]
F. Real et al., "Ab initio study of the photoinduced proton transfert on the uranyl in aqueous solution," Abstract of Papers of the American Chemical Society, vol. 234, 2007.
[23]
V. Vallet, U. Wahlgren and I. Grenthe, "Comment on "The water-exchange mechanism of the [UO2(OH2)(5)](2+) ion revisited : The importance of a proper treatment of electron correlation"," Chemistry - A European Journal, vol. 13, no. 36, pp. 10294-10297, 2007.
[24]
V. Vallet and I. Grenthe, "On the structure and relative stability of uranyl(VI) sulfate complexes in solution," Comptes rendus. Chimie, vol. 10, no. 10-11, pp. 905-915, 2007.
[25]
P. Macak et al., "A theoretical study of the fluoride exchange between UO2F+(aq) and UO22+(aq)," Dalton Transactions, no. 30, pp. 3638-3646, 2006.
[26]
V. Vallet et al., "Actinide chemistry in solution, quantum chemical methods and models," Theoretical Chemistry accounts, vol. 115, no. 2-3, pp. 145-160, 2006.
[27]
S. Tsushima, U. Wahlgren and I. Grenthe, "Quantum chemical calculations of reduction potentials of AnO(2)(2+)/AnO(2)(+) (An = U, Np, Pu, Am) and Fe3+/Fe2+ couples," Journal of Physical Chemistry A, vol. 110, no. 29, pp. 9175-9182, 2006.
[28]
U. Wahlgren, S. Tsushima and I. Grenthe, "Some quantum chemical aspects on outer-sphere electron-transfer reactions : The U(V)/Fe(III)-U(VI)/Fe(II) system," Journal of Physical Chemistry A, vol. 110, no. 29, pp. 9025-9027, 2006.
[29]
F. Real et al., "Spectroscopy and photochemistry of the uranyl(VI)," in RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B, 2006, pp. 979-+.
[31]
K. Mizuoka, I. Grenthe and Y. Ikeda, "Structural and kinetic studies on uranyl(V) carbonate complex using C-13 NMR spectroscopy," Inorganic Chemistry, vol. 44, no. 13, pp. 4472-4474, 2005.
[32]
V. Vallet, Z. Szabo and I. Grenthe, "Experimental and quantum chemical studies of structure and reaction mechanisms of dioxouranium(VI) complexes in solution," Dalton Transactions, no. 22, pp. 3799-3807, 2004.
[34]
S. Wahlberg, I. Grenthe and M. Muhammed, "Nanostructured hard material composites by molecular engineering .1. Synthesis from soluble tungstate salts," Nanostructured materials, vol. 9, no. 1-8, pp. 105-108, 1997.
Page responsible:Kenneth Carlsson
Belongs to: Department of Chemistry
Last changed: Jun 02, 2017