Publikationen von Walter Thiel
Alle Typen
Zeitschriftenartikel (627)
1974
Zeitschriftenartikel
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
Zeitschriftenartikel
Thiel, W. PHOTOIONIZATION CROSS SECTIONS: He I AND He II PHOTOELECTRON SPECTRA OF SATURATED THREE-MEMBERED RINGS. Chemical Physics Letters 1973, 21, 541–543.
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Zeitschriftenartikel
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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Zeitschriftenartikel
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
Zeitschriftenartikel
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
Zeitschriftenartikel
Thiel, W.; PHOTOIONIZATION CROSS SECTIONS IN THE VALENCE ELECTRON APPROXIMATION. I. LINEAR MOLECULES. Chemical Physics Letters 1971, 12, 49–52.
Zeitschriftenartikel
Thiel, W.; ; ; Tris(Methylquecksilber)amin und verwandte Verbindungen. Zeitschrift für anorganische und allgemeine Chemie 1971, 381, 57–70.
Buch (1)
2011
Buch
Fabiano, E.; Lan, Z.; Lu, Y.; Thiel, W. Nonadiabatic Trajectory Calculations with Ab Initio and Semiempirical Methods; World Scientific Publishing: Singapore, 2011.
Buchkapitel (29)
2019
Buchkapitel
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; , Hrsg.; , Hrsg.; American Chemical Society: Washington, 2019; Bd. ACS Symposium Series, 1317, S 57–69.
2016
Buchkapitel
Nikiforov, A.; Thiel, W.; Description of Conical Intersections with Density Functional Methods; , , , Hrsg.; , , , Hrsg.; Topics in Current Chemistry; Springer-Verlag: Berlin, 2016; Bd. 368, S 445–476.
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Buchkapitel
Wu, X.; Koslowski, A.; Thiel, W. Semiempirical Quantum Chemistry. In Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics; , , Hrsg.; , , Hrsg.; John Wiley & Sons: Chichester, 2016; S 239–257.
2015
Buchkapitel
Thiel, W. Computational Modeling of Photoexcitation in DNA Single and Double Strands. In Photoinduced Phenomena in Nucleic Acids II; , , , Hrsg.; , , , Hrsg.; Topics in Current Chemistry; Springer-Verlag: Berlin, 2015; S 89–122.
; ; 2014
Buchkapitel
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; , Hrsg.; , Hrsg.; Wiley-VCH: Weinheim, 2014; Bd. 63, S 133–177.
; ; ; 2009
Buchkapitel
Thiel, W. QM/MM Methodology: Fundamentals, Scope, and Limitations. In Multiscale Simulation Methods in Molecular Sciences; , , Hrsg.; , , Hrsg.; NIC Series; NIC: Jülich, 2009; S 203–214.
2007
Buchkapitel
Senn, H. M.; Thiel, W. QM/MM methods for biological systems. In Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations; , Hrsg.; , Hrsg.; Topics in Current Chemistry; Springer-Verlag: Berlin, 2007; S 173–290.
Buchkapitel
Thiel, W. Fast semiempirical calculations. In Molecular Quantum Mechanics: Analytic Gradients and Beyond; , , , , Hrsg.; , , , , Hrsg.; ELTE Institute of Chemistry: Budapest, 2007; S 119–121.
2006
Buchkapitel
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; , Hrsg.; , Hrsg.; Springer: Dordrecht, 2006; S 171–183.
2005
Buchkapitel
Thiel, W. Semiempirical Quantum-Chemical Methods in Computational Chemistry. In Theory and Applications of Computational Chemistry; , , , , Hrsg.; , , , , Hrsg.; Elsevier: Amsterdam, 2005; S 559–580.
Buchkapitel
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; S 209–238.
2003
Buchkapitel
Thiel, W. Semiempirical Theories. In Handbook of Molecular Physics and Quantum Chemistry; , Hrsg.; , Hrsg.; Handbook of Molecular Physics and Qunatum Chemistry; Wiley: Chichester, 2003; S 487–502.