Walter Thiel, Ph.D.

1999- Chemistry Max Planck Institute for Coal Research, Mülheim an der Ruhr, Nordrhein-Westfalen, Germany 
"Walter Thiel"

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Armin Schweig grad student 1973 Universität Marburg
 (Zur Interpretation der Bandenintensitaeten in der UV-Photoelektronenspektroskopie)
Michael J. S. Dewar post-doc 1973-1975 UT Austin
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Breidung J, Thiel W. (2019) Equilibrium Structures of the Phosphorus Trihalides PF and PCl, and the Phosphoranes PHF, PF, PClF, and PCl. The Journal of Physical Chemistry. A
Dral PO, Wu X, Thiel W. (2019) Semiempirical Quantum-Chemical Methods with Orthogonalization and Dispersion Corrections. Journal of Chemical Theory and Computation
Wu X, Dral PO, Koslowski A, et al. (2018) Big data analysis of ab Initio molecular integrals in the neglect of diatomic differential overlap approximation. Journal of Computational Chemistry
Xiao P, Li CX, Fang WH, et al. (2018) Mechanism of the Visible-Light-Mediated Copper-Catalyzed Coupling Reaction of Phenols and Alkynes. Journal of the American Chemical Society
Dral PO, Barbatti M, Thiel W. (2018) Nonadiabatic Excited-State Dynamics with Machine Learning. The Journal of Physical Chemistry Letters. 5660-5663
Liu J, Koslowski A, Thiel W. (2018) Analytic gradient and derivative couplings for the spin-flip extended configuration interaction singles method: Theory, implementation, and application to proton transfer. The Journal of Chemical Physics. 148: 244108
Bistoni G, Polyak I, Sparta M, et al. (2018) Towards accurate QM/MM reaction barriers with large QM regions using Domain Based Pair Natural Orbital Coupled Cluster Theory. Journal of Chemical Theory and Computation
Owens A, Yachmenev A, Küpper J, et al. (2018) The rotation-vibration spectrum of methyl fluoride from first principles. Physical Chemistry Chemical Physics : Pccp
Armengol P, Spörkel L, Gelabert R, et al. (2018) Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent protein. Physical Chemistry Chemical Physics : Pccp
Wu D, Wang YT, Fang WH, et al. (2018) QM/MM Studies on the Photoisomerization Dynamics of Azobenzene Chromophore Tethered to a DNA Duplex: Local Unpaired Nucleobase Plays a Crucial Role. Chemistry, An Asian Journal
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