Nägelsbachstraße 25
91052 Erlangen

Related Project(s)

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

(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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Clark, T. (2019). Interaction of Radicals with σ-Holes. Journal of Physical Chemistry A, 123(15), 3326-3333.
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.
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.
Ibrahim, P., & Clark, T. (2019). Metadynamics simulations of ligand binding to GPCRs. Current Opinion in Structural Biology, 55, 129-137.
Debus, C., Wu, B., Kollmann, T., Duchstein, P., Siglreitmeier, M., Herrera, S.,... Coelfen, H. (2019). Bioinspired multifunctional layered magnetic hybrid materials. Bioinspired, Biomimetic and Nanobiomaterials, 8(1), 28-46.
Daum, S., Toms, J., Reshetnikov, V., Özkan, H., Hampel, F., Maschauer, S.,... Mokhir, A. (2019). Identification of Boronic Acid Derivatives as an Active Form of N-Alkylaminoferrocene-Based Anticancer Prodrugs and Their Radiolabeling with 18F. Bioconjugate Chemistry, 30(4), 1077-1086.
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.
Kriebel, M., Weber, K., & Clark, T. (2018). A Feynman dispersion correction: a proof of principle for MNDO. Journal of Molecular Modeling, 24(12).
Clark, T., Murray, J.S., & Politzer, P. (2018). A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions. Physical Chemistry Chemical Physics.
Keller, N., Calik, M., Sharapa, D., Soni, H., Zehetmaier, P.M., Rager, S.,... Bein, T. (2018). Enforcing Extended Porphyrin J-Aggregate Stacking in Covalent Organic Frameworks. Journal of the American Chemical Society, 140, 16544.
Clark, T., Murray, J.S., & Politzer, P. (2018). The sigma-Hole Coulombic Interpretation of Trihalide Anion Formation. Chemphyschem, 19(22), 3044-3049.
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.
Clark, T., & Heßelmann, A. (2018). The coulombic sigma-hole model describes bonding in CX3I center dot center dot center dot Y- complexes completely. Physical Chemistry Chemical Physics, 20(35), 22849-22855.
Legon, A.C., Sharapa, D., & Clark, T. (2018). Dispersion and polar flattening: noble gas-halogen complexes. Journal of Molecular Modeling, 24(7).
Saleh, N., Kleinau, G., Heyder, N., Clark, T., Hildebrand, P.W., & Scheerer, P. (2018). Binding, Thermodynamics, and Selectivity of a Non-peptide Antagonist to the Melanocortin-4 Receptor. Frontiers in Pharmacology, 9.
Schimmel, S., Duchstein, P., Steigerwald, T., Kimmel, A.-C., Schlücker, E., Zahn, D.,... Wellmann, P. (2018). In situ X-ray monitoring of transport and chemistry of Ga-containing intermediates under ammonothermal growth conditions of GaN. Journal of Crystal Growth, 498, 214-223.
Wick, C., & Clark, T. (2018). On bond-critical points in QTAIM and weak interactions. Journal of Molecular Modeling, 24(6).
Basel, B., Zirzlmeier, J., Hetzer, C., Seelam, R.R., Phelan, B.T., Krzyaniak, M.D.,... Guldi, D.M. (2018). Evidence for Charge-Transfer Mediation in the Primary Events of Singlet Fission in a Weakly Coupled Pentacene Dimer. Chem, 4(5), 1092-1111.
Münich, P., Schierl, C., Dirian, K., Volland, M., Bauroth, S., Wibmer, L.,... Guldi, D.M. (2018). Tuning the Carbon Nanotube Selectivity: Optimizing Reduction Potentials and Distortion Angles in Perylenediimides. Journal of the American Chemical Society, 140(16), 5427-5433.
Saleh, N., Hucke, O., Kramer, G., Schmidt, E., Montel, F., Lipinski, R.,... Tautermann, C.S. (2018). Multiple Binding Sites Contribute to the Mechanism of Mixed Agonistic and Positive Allosteric Modulators of the Cannabinoid CB1 Receptor. Angewandte Chemie-International Edition, 57(10), 2580-2585.

Last updated on 2019-24-04 at 10:26