Dr. Christian Wick



Organisation


Physics Underlying Life Science
Computer-Chemie-Centrum
Graduiertenkolleg 2423 Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik


Publications (Download BibTeX)


Vučemilović-Alagić, N., Banhatti, R.D., Stepic, R., Wick, C., Berger, D., Gaimann, M.U.,... Smith, A.-S. (2019). Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces. Journal of Colloid and Interface Science, 553, 350-363. https://dx.doi.org/10.1016/j.jcis.2019.06.017
Stepic, R., Wick, C., Strobel, V., Berger, D., Vucemilovic-Alagic, N., Haumann, M.,... Smith, D.M. (2019). Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study. Angewandte Chemie International Edition, 58(3), 741-745. https://dx.doi.org/10.1002/anie.201811627
Fritsch, N., Wick, C., Waidmann, T., Pflock, S., Dral, P., Tucher, J.,... Burzlaff, N. (2018). 1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes. European Journal of Inorganic Chemistry, 1, 54-61. https://dx.doi.org/10.1002/ejic.201701246
Mayer, M., Fey, K., Heinze, E., Wick, C., Abboud, M.I., Yeh, T.L.,... Burzlaff, N. (2018). A Fluorescent Benzo[g]isoquinoline-based HIF Prolyl Hydroxylase Inhibitor for Cellular Imaging. Chemmedchem. https://dx.doi.org/10.1002/cmdc.201800483
Bauer, T., Stepic, R., Wolf, P., Kollhoff, F., Karawacka, W., Wick, C.,... Libuda, J. (2018). Dynamic equilibria in supported ionic liquid phase (SILP) catalysis: in situ IR spectroscopy identifies [Ru(CO)xCly]n species in water gas shift catalysis. Catalysis: Science and Technology, 8(1), 344-357. https://dx.doi.org/10.1039/C7CY02199B
Wick, C., & Clark, T. (2018). On bond-critical points in QTAIM and weak interactions. Journal of Molecular Modeling, 24(6). https://dx.doi.org/10.1007/s00894-018-3684-x
Fritsch, N., Wick, C., Waidmann, T., Dral, P., Tucher, J., Heinemann, F.,... Burzlaff, N. (2014). Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand. Inorganic Chemistry, 53(23), 12305-12314. https://dx.doi.org/10.1021/ic501435a
Wick, C., Hennemann, M., Stewart, J.J.P., & Clark, T. (2014). Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes. Journal of Molecular Modeling, 20(3), 2159. https://dx.doi.org/10.1007/s00894-014-2159-y
El Kerdawy, A., Wick, C., Hennemann, M., & Clark, T. (2012). Predicting the Sites and Energies of Noncovalent Intermolecular Interactions Using Local Properties. Journal of Chemical Information and Modeling, 52(4), 1061-1071. https://dx.doi.org/10.1021/ci300095x
Wick, C., Lanig, H., Jäger, C., Burzlaff, N., & Clark, T. (2012). Structural insight into the prolyl hydroxylase PHD2: A molecular dynamics and DFT study. European Journal of Inorganic Chemistry, 31, 4973-4985. https://dx.doi.org/10.1002/ejic.201200391

Last updated on 2017-22-11 at 01:00