Prof. Dr. Satoru Tsushima
Phone: +49 351 260 - 2978

Publications from IRE using quantum chemical approach


24. A.Ikeda-Ohno, S.Tsushima, C.Hennig, T.Yaita, G.Bernhard "Dinuclear complexes of tetravalent cerium in an aqueous perchloric acid solution" Dalton Trans. 41, 7190.
23. W.A.Gezahegne, C.Hennig, S.Tsushima, B.Planer-Friedrich, A.C.Scheinost, B.J.Merkel "EXAFS and DFT investigations of uranyl-arsenate complexes in aqueous solution" Environ. Sci. Technol. 46, 2228.
22. S.Tsushima "The "yl"-oxygen exchange in UO22+: a mechanism involving (UO2)2(μ-OH)22+ via U-Oyl-U bridge formation" Inorg. Chem. 51, 1434.


21. S.Tsushima "On the "yl" bond weakening in uranyl(VI) coordination complexes" Dalton Trans. 40, 6732.
20. A.Barkleit, S.Tsushima, O.Savchuk, J.Philipp, M.Acker, S.Taut, K.Fahmy "Eu3+-mediated polymerization of Benzenetetracarboxylic acid studied by spectroscopy, temperature-dependent calorimetry, and density functional theory" Inorg. Chem. 50, 5451.
19. H.Khesbak, O.Savchuk, S.Tsushima, K.Fahmy "The role of water H-bond imbalances in B-DNA substate transitions and peptide recognition revealed by time-resolved FTIR spectroscopy" J. Am. Chem. Soc. 133, 5834.


18. S.Tsushima, V.Brendler, K.Fahmy "Aqueous coordination chemistry and photochemistry of uranyl(VI) oxalate revisited: a density functional theory study " Dalton Trans. 39, 10953.
17. S.Tsushima, C.Götz, K.Fahmy "Photoluminescence of uranium(VI): quenching mechanism and role of uranium(V)" Chem. Eur. J. 16, 8029.


16. A.Ikeda-Ohno, C.Hennig, S.Tsushima, K.Takao, A.Rossberg, H.Funke, A.C.Scheinost, G.Bernhard, T.Yaita "Neptunium carbonato complexes in an aqueous solution: electrochemical, spectroscopic, and quantum chemical study" Inorg. Chem. 48, 11779.
15. K.Takao, S.Tsushima, S.Takao, A.C.Scheinost, G.Bernhard, Y.Ikeda, C.Hennig "X-ray Absorption Fine Structures of Uranyl(V) Complexes in Nonaqueous Solution" Inorg. Chem. 48, 9602.
14. A.Kanjilal, S.Tsushima, C.Götz, L.Rebohle, M.Voelskow, W.Skorupa, M.Helm "Spectrally resolved kinetics of inverse energy transfer in Ge-rich SiO2 by Er doping" J. Appl. Phys. 106, 063112.
13. A.Ikeda-Ohno, C.Hennig, S.Tsushima, A.C.Scheinost, G.Bernhard, T.Yaita "Speciation and structural study of U(IV) and –(VI) in perchloric and nitric acid solutions" Inorg. Chem. 48, 7201.
12. K.Müller, H.Foerstendorf, S.Tsushima, V.Brendler, G.Bernhard "Direct spectroscopic characterization of aqueous actinyl(VI) species: A comparative study of Np and U" J. Phys. Chem. A 113, 6626.
11. C.Hennig, A.Ikeda-Ohno, S.Tsushima, A.C.Scheinost "The sulfate coordination of Np(IV), Np(V) and Np(VI) in aqueous solution" Inorg. Chem. 48, 5350.
10. S.Tsushima "Photochemical reduction of UO22+ in the presence of alcohol studied by DFT calculations" Inorg. Chem. 48, 4856.
9. A.Rossberg, K.-U.Ulrich, S.Weiss, S.Tsushima, A.C.Scheinost, A.Hiemstra "Identification of uranyl surface complexes on ferrihydrite: Advanced EXAFS data analysis and CD-MUSIC modeling" Environ. Sci. Technol. 43, 1400.


8. C.Hennig, A.Ikeda, K.Schmeide, V.Brendler, H.Moll, S.Tsushima, A.C.Scheinost, S.Skanthakumar, R.Wilson, L.Soderholm, K.Servaes, C.Görrler-Warland, R.Van Deun "The relationship of monodentate and bidentate coordinated uranium (VI) sulfate in aqueous solution", Radiochim. Acta 96, 607.
7. S.Tsushima "Quantum Chemical Calculations of the Redox Potential of the Pu(VII)/Pu(VIII) Couple" J. Phys. Chem. B 112, 13059.
6. S.Tsushima "Hydrolysis and Dimerization of Th4+ Ion" J. Phys. Chem. B 112, 7080.
5. A.Ikeda, C.Hennig, A.Rossberg, S.Tsushima, A.C.Scheinost, G.Bernhard "Structural Determination of Individual Chemical Species in a Mixed System by Iterative Transformation Factor Analysis (ITFA)-based X-ray Absorption Spectroscopy Combined with UV-Visible Absorption and Quantum Chemical Calculation", Anal. Chem. 80, 1102.


4. S.Tsushima, A.Rossberg, A.Ikeda, K.Müller, A.C.Scheinost "Stoichiometry and structure of uranyl (VI) hydroxo dimer and trimer complexes in aqueous solution", Inorg. Chem. 46, 10819.
3. C.Hennig, K.Schmeide, V.Brendler, H.Moll, S.Tsushima, A.C.Scheinost "EXAFS investigation of U(VI), U(IV) and Th(IV) sulfato complexes in aqueous solution", Inorg. Chem. 46, 5882.
2. A.Ikeda, C.Hennig, S.Tsushima, K.Takao, Y.Ikeda, A.C.Scheinost, G.Bernhard "A Comparative Study of U(VI) and U(V) Carbonato Complexes in Aqueous Solution", Inorg. Chem. 46, 4212.
1. S.Tsushima "Hydration and water exchange mechanism of the UO22+ ion revisited: The validity of the "n+1" model", J. Phys. Chem. A. 111, 3613.


Prof. Dr. Satoru Tsushima
Phone: +49 351 260 - 2978