Publications of T. Tuttle

Tuttle, T.; Wang, D.; Thiel, W.; Köhler, J.; Hofmann, M.; Weis, J.: Ruthenium based catalysts for olefin hydrosilylation: dichloro(p-cymene)ruthenium and related complexes. Dalton Transactions, pp. 5894 - 5901 (2009)

Ye, S.; Tuttle, T.; Bill, E.; Simkhovich, L.; Gross, Z.; Thiel, W.; Neese, F.: The Electronic Structure of Iron Corroles: A Combined Experimental and Quantum Chemical Study. Chemistry – A European Journal 14 (34), pp. 10839 - 10851 (2008)

Tuttle, T.; Thiel, W.: OMx-D: Semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application. Physical Chemistry Chemical Physics 10, pp. 2159 - 2166 (2008)

Fürstner, A.; Kirk, D.; Fenster, M. D. B.; Aïssa, C.; De Souza, D.; Nevado, C.; Tuttle, T.; Thiel, W.; Müller, O.: Latrunculin Analogues with Improved Biological Profiles by "Diverted Total Synthesis": Preparation, Evaluation, and Computational analysis. Chemistry – A European Journal 13 (1), pp. 135 - 149 (2007)

Tuttle, T.; Kraka, E.; Thiel, W.; Cremer, D.: A QM/MM study of the bergman reaction of dynemicin a in the minor groove of DNA. Journal of Physical Chemistry B 111, pp. 8321 - 8328 (2007)

Tuttle, T.; Thiel, W.: Substrate orientation in 4-oxalocrotonate tautomerase and its effect on QM/MM energy profiles. Journal of Physical Chemistry B 111, pp. 7665 - 7674 (2007)

Tuttle, T.; Wang, D.; Thiel, W.; Köhler, J.; Hofmann, M.; Weis, J.: Mechanism of olefin hydrosilylation catalyzed by [RuCl(NCCH₃)₅]⁺: A DFT study. Journal of Organometallic Chemistry 692, pp. 2282 - 2290 (2007)

Tuttle, T.; Keinan, E.; Thiel, W.: Understanding the enzymatic activity of 4-oxalocrotonate tautomerase and its mutant analogues: A computational study. Journal of Physical Chemistry B 110, pp. 19685 - 19695 (2006)

Tuttle, T.; Wang, D. Q.; Thiel, W.: Mechanism of olefin hydrosilylation catalyzed by RuCl₂(CO)₂(PPh₃)₂: A DFT study. Organometallics 25, pp. 4504 - 4513 (2006)