Journal Article (27)

2009
Journal Article
Senn, H. M.; Thiel, W. QM/MM-Methoden für Biomolekulare Systeme. Angewandte Chemie 2009, 121, 1220–1254.
Journal Article
Thiel, W. Autobiography of Walter Thiel. Journal of Physical Chemistry A 2009, 113, 11457–11464.
Journal Article
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.
Journal Article
Wang, D.; Thiel, W. The Oxyheme Complexes of P450cam: A QM/MM Study. Journal of Molecular Structure-Theochem 2009, 898, 90–96.
Journal Article
Yurchenko, S. N.; Barber, R. J.; Yachmenev, A.; Thiel, W.; Jensen, P.; Tennyson, J. A Variationally Computed T = 300 K Line List for NH₃. Journal of Physical Chemistry A 2009, 113, 11845–11855.
Journal Article
Yurchenko, S. N.; Ovsyannikov, R. I.; Thiel, W.; Jensen, P. Rotation-Vibration Energy Cluster Formation in XH₂D and XHD₂ Molecules (X = Bi, P, and Sb). Journal of Molecular Spectroscopy 2009, 256, 119–127.
Journal Article
Yurchenko, S. N.; Yachmenev, A.; Thiel, W.; Baum, O.; Giesen, T. F.; Melnikov, V. V.; Jensen, P. An Ab Initio Calculation of the Vibrational Energies and Transition Moments of HSOH. Journal of Molecular Spectroscopy 2009, 257, 57–65.

Book Chapter (1)

2009
Book Chapter
Thiel, W. QM/MM Methodology: Fundamentals, Scope, and Limitations. In Multiscale Simulation Methods in Molecular Sciences; Grotendorst, H., NIC, Eds.; Grotendorst, H., NIC, Series Eds.; NIC Series; NIC: Jülich, 2009; pp 203–214.
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