Publications of Walter Thiel
All genres
Book Chapter (29)
2002
Book Chapter
Untersuchungen zur übergangsmetallkatalysierten Olefinpolymerisation und zur Modellierung enzymatischer Reaktionen. In: Jahrbuch der Max-Planck-Gesellschaft, pp. 509 - 516. Vandenhoeck & Ruprecht, Göttingen (2002)
Book Chapter
Untersuchungen zur übergangskatalysierten Olefinpolymerisation und zur Modellierung enzymatischer Reaktionen. In: Jahrbuch der Max-Planck-Gesellschaft, pp. 509 - 516. Vandenhoeck & Ruprecht, Göttingen (2002)
2001
Book Chapter
Phosphino-Substituted Cyclopentadienyl Chromium Catalysts for the Oligomerization of Ethylene. In: Organometallic Catalysts and Olefin Polymerization: Catalysts for a New Millennium, pp. 127 - 136 (Eds. Blom, R.; Follestad, A.; Rytter, E.). Springer, Berlin (2001)
Book Chapter
Semiempirical Thermochemistry: A Brief Survey. In: Quantum-Mechanical Prediction of Thermochemical Data, pp. 235 - 245 (Ed. Cioslowski, J.). Kluwer Academic, Dordrecht (2001)
2000
Book Chapter
Semiempirical methods. In: Modern Methods and Algorithms of Quantum Chemistry (Ed. Grotendorst, J.). John von Neumann Institute for Computing, Jülich (2000)
1998
Book Chapter
712, pp. 50 - 65 (Eds. Gao, J.; Thompson, M. A.). American Chemical Society., Washington, DC (1998)
On the Treatment of Link Atoms in Hybrid Methods. In: ACS Symposium Series, Vol. 712: Combined Quantum Mechanical and Molecular Mechanical Methods, Vol.
Book Chapter
MNDO/d. In: Encyclopedia of Computational Chemistry, pp. 1604 - 1605 (Ed. Schleyer, P. v. R.). Wiley, Chichester (1998)
Book Chapter
MNDO. In: Encyclopedia of Computational Chemistry, pp. 1599 - 1604 (Ed. Schleyer, P. v. R.). Wiley, Chichester (1998)
Book Chapter
677, pp. 142 - 161 (Eds. Irikura, K. K.; Frurip, D. J.). American Chemical Society., Washington, DC (1998)
Thermochemistry from Semiempirical Molecular Orbital Theory. In: ACS Symposium Series, Vol. 677: Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics, Vol. 1997
Book Chapter
5, pp. 95 - 98 (Eds. Ruoff, R. S.; Kadish, K. M.). The Electrochemical Society, Pennington, NJ (1997)
REDOX BEHAVIOUR OF MONO- THROUGH HEXAKIS-ADDUCTS OF C60 FULLERENE. In: Fullerenes: Recent Advances in the Physics and Chemistry of Fullerenes and Related Materials, Vol. 5, Vol.
Book Chapter
VIBRATION-ROTATION SPECTRA OF REACTIVE MOLECULES: INTERPLAY OF AB INITIO CALCULATIONS AND HIGH-RESOLUTION EXPERIMENTAL STUDIES. In: Vibration-Rotational Spectroscopy and Molecular Dynamics, pp. 56 - 115 (Ed. Papoušek, D.). World Scientific, Singapore (1997)
Book Chapter
5, pp. 126 - 137 (Eds. Ruoff, R. S.; Kadish, K. M.). The Electrochemical Society, Pennington, NJ (1997)
THEORETICAL STUDY OF HELIUM INCORPORATION BY BUCKMINSTERFULLERENE. In: Fullerenes: Recent Advances in the Physics and Chemistry of Fullerenes and Related Materials, Vol. 5, Vol. 1996
Book Chapter
3 (Eds. Kadish, K. M.; Ruoff, R. S.). The Electrochemical Society, Inc., Pennington, NJ (1996)
Theoretical Studies on Giant Fullerenes and on Endohedral Fullerene Complexes. In: Proceedings of the Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Vol. 3, Vol.
Book Chapter
93, pp. 703 - 757 (Eds. Prigogine, I.; Rice, S. A.). John Wiley & Sons, Inc., New York (1996)
Perspectives on Semiempirical Molecular Orbital Theory. In: Advances in Chemical Physics, Vol. 93, Vol. 1995
Book Chapter
919, pp. 880 - 995 (Eds. Hertzberger, B.; Serazzi, G.). Springer, Berlin (1995)
Parallelization in quantum chemistry: The MNDO code. In: Lecture Notes in Computer Science, Vol. 919, Vol.
Book Chapter
The MNDO94 Code: Parallelization of a Semiempirical Quantum-chemical Program. In: Methods and Techniques in Computational Chemistry METECC-95, pp. 880 - 885 (Eds. Clementi, E.; Corongiu, G.). STEF, Cagliari (1995)
1994
Book Chapter
Synthesis and evaluation of new glycosidase inhibitors. In: COMPLEX CARBOHYDRATES IN DRUG RESEARCH, pp. 135 - 150 (Eds. Bock, K.; Clausen, H.). Munksgaard, Copenhagen (1994)
Proceedings (1)
2012
Proceedings
Rotation-vibration energy level cluster formation in three- and four-atomic molecules (AIP Conference Proceedings, 1504 ). International Conference of Computational Methods in Sciences and Engineering 2009: (iccmse 2009), Rhodes, Greece, September 29, 2009 - October 04, 2009. AIP Journals, Rhodes (2012), 500 pp.