apl. Prof. Dr. Timothy Clark



Organisation


Computer-Chemie-Centrum
Naturwissenschaftliche Fakultät



Project lead


(SFB 953: Synthetic Carbon Allotropes):
SFB 953: Large Scale Simulations on Carbon Allotropes (C01)
apl. Prof. Dr. Timothy Clark; Prof. Dr. Bernd Meyer
(01/01/2012)

(SPP 1179: Organokatalyse):
Chiral mono- and bifunctional organic catalysts: A joint experimental-theoretical approach to asymmetric organic synthesis (SPP 1179)
apl. Prof. Dr. Timothy Clark
(01/11/2006 - 01/06/2012)

(SFB 583: Redoxaktive Metallkomplexe - Reaktivitätssteuerung durch molekulare Architekturen):
Theoretical Studies on Electron-Transfer Catalysis (C 01)
apl. Prof. Dr. Timothy Clark
(01/07/2001 - 01/06/2012)


Publications (Download BibTeX)

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Schreck, M.H., Röhr, M.I., Clark, T., Stepanenko, V., Würthner, F., & Lambert, C. (2019). A Self-Assembled Unit Comprising 12 Squaraine Dyes Built Up from Two Star-Shaped Hexasquarainyl-Benzene Molecules. Chemistry - A European Journal. https://dx.doi.org/10.1002/chem.201805685
Basel, B., Hetzer, C., Zirzlmeier, J., Thiel, D., Guldi, R., Hampel, F.,... Tykwinski, R.R. (2019). Davydov splitting and singlet fission in excitonically coupled pentacene dimers. Chemical Science, 10(13), 3854-3863. https://dx.doi.org/10.1039/c9sc00384c
Clark, T. (2019). Interaction of Radicals with σ-Holes. Journal of Physical Chemistry A, 123(15), 3326-3333. https://dx.doi.org/10.1021/acs.jpca.9b01133
Ibrahim, P., & Clark, T. (2019). Metadynamics simulations of ligand binding to GPCRs. Current Opinion in Structural Biology, 55, 129-137. https://dx.doi.org/10.1016/j.sbi.2019.04.002
Papadopoulos, I., Zirzlmeier, J., Hetzer, C., Bae, Y.J., Krzyaniak, M.D., Wasielewski, M.R.,... Guldi, D.M. (2019). Varying the Interpentacene Electronic Coupling to Tune Singlet Fission. Journal of the American Chemical Society, 141(15), 6191-6203. https://dx.doi.org/10.1021/jacs.8b09510
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
Kriebel, M., Weber, K., & Clark, T. (2018). A Feynman dispersion correction: a proof of principle for MNDO. Journal of Molecular Modeling, 24(12). https://dx.doi.org/10.1007/s00894-018-3874-6
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
Clark, T., Murray, J.S., & Politzer, P. (2018). A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions. Physical Chemistry Chemical Physics. https://dx.doi.org/10.1039/c8cp06786d
Dirian, K., Bauroth, S., Roth, A., Syrgiannis, Z., Rigodanza, F., Burian, M.,... Guldi, D.M. (2018). A water-soluble, bay-functionalized perylenediimide derivative - correlating aggregation and excited state dynamics. Nanoscale, 10(5), 2317-2326. https://dx.doi.org/10.1039/c7nr07870f

Last updated on 2016-05-05 at 05:03

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