Timothy Clark - Dissemin

Papers authored by Timothy Clark

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2003 Olaf G. Othersen, Harald Lanig

, Timothy Clark

Systematic Surface Scan of the Most Favorable Interaction Sites of Magnesium Ions with Tetracycline

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Paul Winget, Cenk Selçuki, Cenk Sel�uki, Anselm H. C. Horn, Bodo Martin, Timothy Clark

Towards a ‘‘next generation’’ neglect of diatomic differential overlap based semiempirical molecular orbital technique

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Nursel Acar, André Stockmann, Ciprian Roman, Siegfried Schneider, Jana Kurzawa, Norbert Fritz, Timothy Clark

, Nursel

Phenothiazine−Pyrene Dyads: Photoinduced Charge Separation and Structural Relaxation in the CT State

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Bernd Ehresmann, Bodo Martin, Anselm H. C. Horn, Timothy Clark

Local molecular properties and their use in predicting reactivity

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Frank Beierlein, Harald Lanig

, Gudrun Schürer, Anselm H. C. Horn, Timothy Clark

Quantum mechanical/molecular mechanical (QM/MM) docking: an evaluation for known test systems

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Zhongfang Chen, Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Tim Clark

, Walter Thiel

, Paul Von Ragué Schleyer

The structure and stability of Si60and Ge60cages: A computational study

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Hans Erras-Hanauer, Zong-Wan Mao, Günter Liehr, Timothy Clark

, Rudi van Eldik

Structures of Carbonato and Bicarbonato Complexes of Bis(1,10-phenanthroline)Zinc(II): Experiment and Theory

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Roland Boese, Timothy Clark

, Angelo Gavezzotti

Cocrystallization with Acetylene. The 1 : 1 Complex with Benzene: Crystal Growth, X-Ray Diffraction and Molecular Simulations

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Anselm H. C. Horn, Timothy Clark

Does Metal Ion Complexation Make Radical Clocks Run Fast?

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Tim Clark

Editorial 2003

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P. Winget, A. H. Horn, C. Selçuki, B. Martin, T. Clark

AM1* parameters for phosphorus, sulfur and chlorine.

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2002 Christian Topf, Timothy Clark

, Frank W. Heinemann, Matthias Hennemann, Susanne Kummer, Hans Pritzkow, Ulrich Zenneck

Ambiphilicity: A Characteristic Reactivity Principle of π-Bound Phosphorus Heterocycles

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Gudrun Schürer, Anselm H. C. Horn, Peter Gedeck, Timothy Clark

The Reaction Mechanism of Bovine Lens Leucine Aminopeptidase

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André Stockmann, Siegfried Schneider, Jana Kurzawa, Norbert Fritz, Nursel Acar, Jörg Daub, Raimund Engl, Timothy Clark

, Nursel

Conformational Control of Photoinduced Charge Separation within Phenothiazine−Pyrene Dyads

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Matthias Brüstle, Bernd Beck, Torsten Schindler, William King, Timothy Mitchell, Timothy Clark

Descriptors, Physical Properties, and Drug-Likeness

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Jung Mee Park, P. Tarakeshwar, Kwang S. Kim, Tim Clark

Nature of the interaction of paramagnetic atoms (A=4N,4P,3O,3S) with π systems and C60: A theoretical investigation of A⋅⋅⋅C6H6 and endohedral fullerenes A@C60

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Paul Binger, Timothy Clark

, Frank W. Heinemann, Matthias Hennemann, Hans Pritzkow, Christian Topf, Ulrich Zenneck

Intramolecular Reactivity of π-Coordinated P-Heterocycles: How to Form Five-Membered Rings out of Phosphaalkynes

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Matthias Hennemann, Timothy Clark

A QSPR-Approach to the Estimation of the p K HB of Six-Membered Nitrogen-Heterocycles using Quantum Mechanically Derived Descriptors

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Timothy Clark

, Bernd Bleisteiner, Siegfried Schneider

Excited state conformational dynamics of semiflexibly bridged electron donor-acceptor systems: a semiempirical CI-study including solvent effects

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Stephen F. Nelsen, Laurie A. Reinhardt, Hieu Q. Tran, Timothy Clark

, Guo-Fei Chen, Robert S. Pappas, Ffrancon Williams

Ionized Bicyclo[2.2.2]oct-2-ene: A Twisted Olefinic Radical Cation Showing Vibronic Coupling

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Papers authored by Timothy Clark