Clark, apl. Tim - Friedrich-Alexander-Universität Erlangen-Nürnberg

个人简介

Tim Clark was born in southern England and studied chemistry at the University of Kent at Canterbury, where he was awarded a first class honors Bachelor of Science degree in 1969. He obtained his Ph.D. from the Queen’s University Belfast in 1973 after working on the thermochemistry and solid phase properties of adamantane and diamantane derivatives. After two years as an Imperial Chemical Industries Postdoctoral Fellow in Belfast, he moved to Princeton University as a NATO Postdoctoral Fellow working for Paul Schleyer in 1975. He then followed Schleyer to the Institut für Organische Chemie of the Universität Erlangen-Nürnberg in 1976. He is currently technical Director of the Computer-Chemie-Centrum in Erlangen and Professor of Computational Chemistry at the University of Portsmouth, UK, where he is also Director of the Centre for Molecular Design. He is the author of 340 articles in scientific journals and two books, has an h-index of 47 and is the founding editor of the Journal of Molecular Modeling. In 2009, he was awarded the Klaus-Wilhelm von der Lieth Medal of the Molecular Graphics and Modeling Society. In February 2013, he held the Paul Schleyer Lecture at the University of Georgia in Athens, Georgia.

研究领域

From signal transduction to electron transfer Die Gruppe entwickelt Rechenmethoden zur Simulation von chemischen und biologischen Systemen und setzt sie ein, um mechanistische Fragestellungen zu bearbeiten. Dabei liegen die Schwerpunkte bei den Mechanismen von Reaktionen an redoxaktiven Metallzentren, bei Reaktionen von organischen Radikalen und bei Konformationsänderungen von Proteinen, die zu biologischen Schaltfunktionen führen.

近期论文

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Carbon Nanodots – Supramolecular Electron Donor-Acceptor Hybrids Featuring Perylenediimides, V. Strauss, J. T. Margraf, K. Dirian, Z. Syrgiannis, M. Prato, C. Wessendorf, A. Hirsch, T. Clark and D. M. Guldi, Angew. Chemie Int. Ed., 2015, 127, accepted for publication. Carboxylate Ion-Pairing with Alkali-Metal Ions for β-Lactoglobulin and its Role on Aggregation and Interfacial Adsorption, F. R. Beierlein, T. Clark, B. Braunschweig, K. Engelhardt, L. Glas and W. Peukert, J. Phys. Chem. B, 2015, 119, just accepted (DOI: 10.1021/acs.jpcb.5b01944). Template-dependent Photochemical Reactivity of Molecular Metal Oxides, J. Tucher, K. Peuntinger, J. T. Margraf, T. Clark, D. M. Guldi, and C. Streb, Chem. Eur. J. 2015, 21, accepted. Mathematical modeling and physical reality in noncovalent interactions, P. Politzer, J. S. Murray and T. Clark, J. Mol. Model., 2015, 21, 52 (DOI: 10.1007/s00894-015-2585-5). Protective layer of Al2O3 nanocomposites and surface composition after electrical stress, C. Meichsner, T. Clark, P. Groeppel, B. Winter, B. Butz and E. Spiecker, IEEE Trans. Diel. Electr. Insul., 2015, accepted. The Electronic Structure of Amorphous Carbon Nanodots, J. T. Margraf, V. Strauss, D. M. Guldi, and T. Clark, J. Phys. Chem. B, 2015, 119, ASAP (DOI: 10.1021/jp510620j). Amphiphilic Perylene-Calix[4]arene-Hybrids: Synthesis and Tunable Self-Assembly, F. Rodler, B. Schade, C. M. Jäger, S. Backes, F. Hampel, C. Böttcher, T. Clark, and A. Hirsch, J. Am. Chem. Soc. 2015, 137, 3308-3317 (DOI: 10.1021/ja512048t). Facile Csp2-Csp2 Bond Cleavage in Oxalic Acid-Derived Radicals, R. Molt, A. Lecher, T. Clark, R. Bartlett and N. G. Richards, J. Am. Chem. Soc. 2015, 137, 3248-3252 (DOI: 10.1021/ja510666r). Correct Electrostatic Treatment of Non-Covalent Interactions: The Importance of Polarisation, T. Clark, P. Politzer and J. S. Murray, WIREs Comput. Mol. Sci. 2015, 5, 169–177 (DOI: 10.1002/wcms.1210) Molecular Wires – Impact of π-Conjugation and Implementation of Molecular Bottlenecks, C. Schubert, J. T. Margraf, T. Clark and D. M. Guldi, Chem. Soc. Rev., 2015, 44, 988-998 (DOI: 10.1039/c4cs00262h) Synthesis of dibenzo[c,e][1,2]diazocines—a new group of eight-membered cyclic azo compounds, T. Nokubi, S. Kindt, T. Clark, A. Kamimura and M. R. Heinrich, Tetrahedron Lett., 2015, 56, 316–320 (DOI: 10.1016/j.tetlet.2014.11.064) Tuning the reorganization energy of electron transfer in supramolecular ensembles – metalloporphyrin, oligophenylenevinylenes, and fullerene – and the impact on electron transfer kinetics, C. Stangel, C. Schubert, S. Kuhr, G. Rotas, J. T. Margraf, E. Regulska, T. Clark, N. Tagmatarchis, A. G. Coutsolelos and D. M. Guldi, Nanoscale, 2015, 7, 2597-2608 (DOI: 10.1039/C4NR05165C) Carbon Nanodots – Towards a Comprehensive Understanding of their Photoluminescence, V. Strauss , J. T. Margraf , C. Dolle , B. Butz , T. J. Nacken , J. Walter , W. Bauer , W. Peukert , E. Spiecker , T. Clark, and D. M. Guldi, J. Am. Chem. Soc., 2014, 136, 17308–17316 (DOI: 10.1021/ja510183c). Multiply bonded metal(II) acetate (Rh, Ru, Mo) complexes with the trans-1,2-bis(N-methylimidazol-2-yl)ethylene ligand, N. Fritsch, C. Wick, T. Waidmann, P. Dral, J. Tucher, F. Heinemann, T. Shubina, T. Clark, and N. Burzlaff, Inorg. Chem., 2014, 53, 12305–12314 (DOI: 10.1021/ic501435a). Conformation and Dynamics of 8-Arg-Vasopressin in Solution, E. Haensele, L. Banting, D. C. Whitley and T. Clark, J. Mol. Model. 2014, 20, 2485 (DOI: 10.1007/s00894-014-2485-0). Integrating metalloporphycenes into p-type NiO-based dye-sensitized solar cells, S. Feihl, R. D. Costa, W. Brenner, J. T. Margraf, R. Casillas, O. Langmar, A. Browa, T. E. Shubina, T. Clark, N. Jux and D. M. Guldi, Chem. Commun., 2014, 50, 11339-11342 (DOI: 10.1039/C4CC04523H). Structure-Based Evolution of Subtype-Selective Neurotensin Receptor Ligands, C. Schaab, R. C. Kling, J. Einsiedel, H. Hübner, T. Clark, D. Seebach and P. Gmeiner, ChemistryOPEN, 2014, 3, 206-218 (DOI: 10.1002/open.201402031). Fullerene van der Waals Oligomers as Electron Traps, T. E. Shubina, D. I. Sharapa, C. Schubert, D. Zahn, M. Halik, P. A. Keller, S. G. Pyne, S. Jennepalli, D. M. Guldi and T. Clark, J. Am. Chem. Soc. 2014, 136, 10890–10893 (DOI: 10.1021/ja505949m). Indentation and Self-Healing Mechanisms of a Self-Assembled Monolayer - A Combined Experimental and Modeling Study, C. Meltzer, Christian, J. Paul, H. Dietrich, C. M. Jäger, T. Clark, D. Zahn, B. Braunschweig and W. Peukert, J. Am. Chem. Soc. 2014, 136, 2014, 10718–10727 (DOI: 10.1021/ja5048076). A molecular placeholder strategy gives access to a family of transition-metal functionalized vanadium oxide clusters, K. Kastner, J. T. Margraf, T. Clark and C. Streb, Chem. Eur. J. 2014, 20, 12269–12273 (DOI: 10.1002/chem.201403592).