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 2009, 5894–5901.

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 2008, 14, 10839–10851.

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

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 2007, 13, 135–149.

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 2007, 111, 8321–8328.

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

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 2007, 692, 2282–2290.

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 2006, 110, 19685–19695.

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