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ZORA Publikationsliste

Publikationen

• Wang, F., Wei, S., Zhang, Z., Patzke, G. R., & Zhou, Y. (2016). Oxygen vacancies as active sites for H$_2$S dissociation on the rutile TiO$_2$(110) surface: a first-principles study Physical Chemistry Chemical Physics (PCCP), 18, 6706–6712. https://doi.org/10.1039/C5CP06835E
• Bryk, T., & Seitsonen, A. (2016). Ab initio molecular dynamics study of collective excitations in liquid H2O and D2O: Effect of dispersion corrections Condensed Matter Physics, 19, 23604. https://doi.org/10.5488/CMP.19.23604
• Gurdal, Y., & Keskin, S. (2016). A new approach for predicting gas separation performances of MOF membranes Journal of Membrane Science, 519, 45–54. https://doi.org/10.1016/j.memsci.2016.07.039
• Li, Y., Blacque, O., Fox, T., Luber, S., Polit, W., Winter, R. F., Venkatesan, K., & Berke, H. (2016). Electronic communication in phosphine substituted bridged dirhenium complexes – clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges Dalton Transactions, 45, 5783–5799. https://doi.org/10.1039/C5DT04768D
• Lüthi, H. P., Heinen, S., Schneider, G., Glöss, A., Brändle, M. P., King, R. A., Pyzer-Knapp, E., Alharbi, F. H., & Kais, S. (2016). The quantum chemical search for novel materials and the issue of data processing: The InfoMol project Journal of Computational Science, 15, 65–73. https://doi.org/10.1016/j.jocs.2015.10.003
• Gabardi, S., Caravati, S., Los, J. H., Kühne, T. D., & Bernasconi, M. (2016). Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds Journal of Chemical Physics, 144, 204508. https://doi.org/10.1063/1.4950817
• Egloff, D., Oleinich, I. A., Zhao, M., König, S. L. B., Sigel, R. K. O., & Freisinger, E. (2016). Sequence-specific post-synthetic oligonucleotide labeling for single-molecule fluorescence applications ACS Chemical Biology, 11, 2558–2567. https://doi.org/10.1021/acschembio.6b00343
• Weder, N., Alberto, R., & Koitz, R. (2016). Thiourea derivatives as potent inhibitors of aluminum corrosion: atomic-level insight into adsorption and inhibition mechanisms Journal of Physical Chemistry C, 120, 1770–1777. https://doi.org/10.1021/acs.jpcc.5b11750
• Thommen, C., Neuburger, M., & Gademann, K. (2016). Collective Syntheses of Icetexane Natural Products Based on Biogenetic Hypotheses Chemistry, 23, 120–127. https://doi.org/10.1002/chem.201603932
• O’Malley, W., Rubbiani, R., Aulsebrook, M., Grace, M., Spiccia, L., Tuck, K., Gasser, G., & Graham, B. (2016). Cellular Uptake and Photo-Cytotoxicity of a Gadolinium(III)-DOTA-Naphthalimide Complex “Clicked” to a Lipidated Tat Peptide Molecules, 21, 194. https://doi.org/10.3390/molecules21020194
• Kowalski, M. K., Mlostoń, G., Obijalska, E., Linden, A., & Heimgartner, H. (2016). First application of fluorinated nitrones for the synthesis of fluoroalkylated β-lactams via the Kinugasa reaction Tetrahedron, 72, 5305–5313. https://doi.org/10.1016/j.tet.2016.06.073
• Mlostoń, G., Jasinski, M., Wroblewska, A., & Heimgartner, H. (2016). Recent progress in the chemistry of 2-unsubstituted 1h-imidazole 3-oxides Current Organic Chemistry, 20, 1359–1369. https://doi.org/10.2174/1385272820666151210000010
• Lampart, S., Roch, L. M., Dutta, A. K., Wang, Y., Warshamanage, R., Finke, A. D., Linden, A., Baldridge, K. K., & Siegel, J. S. (2016). Pentaindenocorannulene: Properties, Assemblies, and C60 Complex Angewandte Chemie Internationale Edition, 55, 14648–14652. https://doi.org/10.1002/anie.201608337
• Hodel, F. H., & Luber, S. (2016). What influences the water oxidation activity of a bioinspired molecular CoII4O4Cubane? An in-depth exploration of catalytic pathways ACS Catalysis, 6, 1505–1517. https://doi.org/10.1021/acscatal.5b02507
• Bachmann, C., Probst, B., Oberholzer, M., Fox, T., & Alberto, R. (2016). Photocatalytic proton reduction with ruthenium and cobalt complexes immobilized on fumed reversed-phase silica Chemical Science, 7, 436–445. https://doi.org/10.1039/C5SC02124C
• Bartova, S., Pechlaner, M., Donghi, D., & Sigel, R. K. O. (2016). Studying metal ion binding properties of a three-way junction RNA by heteronuclear NMR Journal of Biological Inorganic Chemistry, 21, 319–328. https://doi.org/10.1007/s00775-016-1341-3
• Mendes, R. F., Antunes, M. M., Silva, P., Barbosa, P., Figueiredo, F., Linden, A., Rocha, J., Valente, A. A., & Almeida Paz, F. A. (2016). A lamellar coordination polymer with remarkable catalytic activity Chemistry, 22, 13136–13146. https://doi.org/10.1002/chem.201602157
• Mlostoń, G., Urbaniak, K., Pawlak, A., & Heimgartner, H. (2016). New applications of hetaryl thioketones for the synthesis of hetaryl-substituted ethenes via ‘two-fold extrusion reaction‘ Heterocycles, 93, 127–139. https://doi.org/10.3987/COM-15-S(T)8
• Michels-Clark, T. M., Lynch, V. E., Hoffmann, C. M., Hauser, J., Weber, T., Harrison, R., & Bürgi, H.-B. (2016). Analyzing diffuse scattering with supercomputers. Corrigendum Journal of Applied Crystallography, 49, 713–714. https://doi.org/10.1107/S1600576716002077

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