Publications of Walter Thiel
All genres
Journal Article (627)
1974
Journal Article
Thiel, W. Photoionization Cross Sections: He I- and He II-Photoelectron Spectra of Homologous Oxygen and Sulphur Compounds. Molecular Physics 1974, 27, 265–268.
; 1973
Journal Article
Thiel, W. PHOTOIONIZATION CROSS SECTIONS: He I AND He II PHOTOELECTRON SPECTRA OF SATURATED THREE-MEMBERED RINGS. Chemical Physics Letters 1973, 21, 541–543.
;
Journal Article
Thiel, W. Photoionization Cross Sections: Differing Relative Band Intensities in He-I and He-II Photoelectron Spectra. Angewandte Chemie, International Edition in English 1973, 12, 308–309.
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Journal Article
Thiel, W. PHOTOIONIZATION CROSS SECTIONS: HE I AND HE II PHOTOELECTRON SPECTRA OF FLUORINE COMPOUNDS. Journal of Electron Spectroscopy and Related Phenomena 1973, 2, 199–200.
; 1972
Journal Article
Thiel, W.; PHOTOIONIZATION CROSS SECTIONS IN THE VALENCE ELECTRON APPROXIMATION. RELATIVE INTENSITIES IN THE HeI PHOTOELECTRON SPECTRA OF LINEAR MOLECULES. Chemical Physics Letters 1972, 16, 409–413.
1971
Journal Article
Thiel, W.; PHOTOIONIZATION CROSS SECTIONS IN THE VALENCE ELECTRON APPROXIMATION. I. LINEAR MOLECULES. Chemical Physics Letters 1971, 12, 49–52.
Journal Article
Thiel, W.; ; ; Tris(Methylquecksilber)Amin und Verwandte Verbindungen. Zeitschrift für anorganische und allgemeine Chemie 1971, 381, 57–70.
Book (1)
2011
Book
Fabiano, E.; Lan, Z.; Lu, Y.; Thiel, W. Nonadiabatic Trajectory Calculations with Ab Initio and Semiempirical Methods; World Scientific Publishing: Singapore, 2011.
Book Chapter (29)
2019
Book Chapter
Wolf, L. M.; Thiel, W. Computational Investigations into the Mechanisms of Trans-Selective Hydrogenation and Hydrometalation of Alkynes. In Catalysis by Metal Complexes & Nanomaterials - Fundamentals & Applications; , Ed.; , Series ed.; American Chemical Society: Washington, 2019; Vol. ACS Symposium Series, 1317, pp 57–69.
2016
Book Chapter
Nikiforov, A.; Thiel, W.; Description of Conical Intersections with Density Functional Methods; , , , Eds.; , , , Series Eds.; Topics in Current Chemistry; Springer-Verlag: Berlin, 2016; Vol. 368, pp 445–476.
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Book Chapter
Wu, X.; Koslowski, A.; Thiel, W. Semiempirical Quantum Chemistry. In Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics; , , Eds.; , , Series Eds.; John Wiley & Sons: Chichester, 2016; pp 239–257.
2015
Book Chapter
Thiel, W. Computational Modeling of Photoexcitation in DNA Single and Double Strands. In Photoinduced Phenomena in Nucleic Acids II; , , , Eds.; , , , Series Eds.; Topics in Current Chemistry; Springer-Verlag: Berlin, 2015; pp 89–122.
; ; 2014
Book Chapter
Thiel, W. QM/MM Studies of Structure and Reactivity of Cytochrome P450 Enzymes: Methodology and Selected Applications. In Drug Metabolism Prediction: Methods and Principles in Medicinal Chemistry; , Ed.; , Series ed.; Wiley-VCH: Weinheim, 2014; Vol. 63, pp 133–177.
; ; ; 2009
Book Chapter
Thiel, W. QM/MM Methodology: Fundamentals, Scope, and Limitations. In Multiscale Simulation Methods in Molecular Sciences; , , Eds.; , , Series Eds.; NIC Series; NIC: Jülich, 2009; pp 203–214.
2007
Book Chapter
Senn, H. M.; Thiel, W. QM/MM Methods for Biological Systems. In Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations; , Ed.; , Series ed.; Topics in Current Chemistry; Springer-Verlag: Berlin, 2007; pp 173–290.
Book Chapter
Thiel, W. Fast Semiempirical Calculations. In Molecular Quantum Mechanics: Analytic Gradients and Beyond; , , , , Eds.; , , , , Series Eds.; ELTE Institute of Chemistry: Budapest, 2007; pp 119–121.
2006
Book Chapter
Yurchenko, S. N.; Zheng, J.; Thiel, W.; ; Lin, H.; Theoretical Quantitative Spectroscopy: Computer Simulation of Molecular Spectra. In Remote Sensing of the Atmosphere for Environmental Security; , Ed.; , Series ed.; Springer: Dordrecht, 2006; pp 171–183.
2005
Book Chapter
Thiel, W. Semiempirical Quantum-Chemical Methods in Computational Chemistry. In Theory and Applications of Computational Chemistry; , , , , Eds.; , , , , Series Eds.; Elsevier: Amsterdam, 2005; pp 559–580.
Book Chapter
Yurchenko, S. N.; Thiel, W.; ; Lin, H.; Rotation-Vibration Motion of Pyramidal XY₃ Molecules Described in the Eckart Frame: The Calculation of Intensities with Application to NH₃. In ADVANCES IN QUANTUM CHEMISTRY; Advances in Quantum Chemistry; ELSEVIER ACADEMIC PRESS INC: SAN DIEGO, 2005; pp 209–238.
2003
Book Chapter
Thiel, W. Semiempirical Theories. In Handbook of Molecular Physics and Quantum Chemistry; , Ed.; , Series ed.; Handbook of Molecular Physics and Qunatum Chemistry; Wiley: Chichester, 2003; pp 487–502.