2023 - Research.com Chemistry in Germany Leader Award
2017 - Kołos Medal (Medal im. Włodzimierza Kołosa), University of Warsaw and Polish Chemical Society
2012 - Liebig-Denkmünze (Liebig Medal), Society of German Chemists
Walter Thiel focuses on Computational chemistry, Ab initio, QM/MM, Atomic physics and MNDO. Walter Thiel combines subjects such as Molecule and Chemical shift with his study of Computational chemistry. His Ab initio research is multidisciplinary, incorporating elements of Molecular physics, Helium, Potential energy and Ab initio quantum chemistry methods.
His study in QM/MM is interdisciplinary in nature, drawing from both Protonation, Electrostatics, Physical chemistry, Hydrogen atom abstraction and Thermodynamic integration. His studies deal with areas such as Excitation, Basis set and Coupled cluster as well as Atomic physics. His study looks at the intersection of MNDO and topics like Statistical physics with Tight binding and Orthogonalization.
The scientist’s investigation covers issues in Computational chemistry, Ab initio, Atomic physics, Ab initio quantum chemistry methods and Molecular physics. His Computational chemistry study combines topics in areas such as MNDO, Molecule and Physical chemistry. His biological study spans a wide range of topics, including Electronic correlation, Basis set, Potential energy, Rotational–vibrational spectroscopy and Anharmonicity.
His studies in Atomic physics integrate themes in fields like Dipole, Potential energy surface and Coupled cluster. The Ab initio quantum chemistry methods study combines topics in areas such as Spectral line, Infrared and Infrared spectroscopy. His Excited state research includes elements of Photochemistry and Excitation.
His scientific interests lie mostly in Computational chemistry, Catalysis, Photochemistry, Atomic physics and Stereochemistry. The concepts of his Computational chemistry study are interwoven with issues in Solvent effects and Molecule, Hydrogen bond. His Catalysis research incorporates elements of Combinatorial chemistry and Medicinal chemistry.
His work in Photochemistry covers topics such as Excited state which are related to areas like Molecular physics, Excitation, Chemical physics and Electronic structure. Walter Thiel has researched Atomic physics in several fields, including Dipole and Ab initio. His research in Ab initio intersects with topics in Ab initio quantum chemistry methods, Energy, Potential energy and Coupled cluster.
Walter Thiel mainly investigates Computational chemistry, Photochemistry, Electronic structure, Ab initio and Catalysis. His Computational chemistry research is multidisciplinary, incorporating perspectives in Molecular physics, Ylide and Hydrogen bond. He combines subjects such as Single bond, Excited state, Photoisomerization, Quantum yield and Double bond with his study of Photochemistry.
His work deals with themes such as Ab initio quantum chemistry methods, Coupled cluster, Atomic physics, Artificial intelligence and Machine learning, which intersect with Ab initio. His research integrates issues of Multiscale modeling, Molecule and Medicinal chemistry in his study of Catalysis. His work on Molecular electronics as part of general Molecule study is frequently linked to Molecular materials, therefore connecting diverse disciplines of science.
This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.
Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters
Michael J. S. Dewar;Walter Thiel.
Journal of the American Chemical Society (1977)
QM/MM Methods for Biomolecular Systems
Hans Martin Senn;Walter Thiel.
Angewandte Chemie (2009)
Ground States of Molecules. 39. MNDO Results for Molecules Containing Hydrogen, Carbon, Nitrogen, and Oxygen
Michael J. S. Dewar;Walter Thiel.
Journal of the American Chemical Society (1977)
Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches
Dirk Bakowies;Walter Thiel.
The Journal of Physical Chemistry (1996)
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.
Sason Shaik;Devesh Kumar;Samuël P. de Visser;and Ahmet Altun.
Chemical Reviews (2005)
P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
Sason Shaik;Shimrit Cohen;Yong Wang;Hui Chen.
Chemical Reviews (2010)
QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
Paul Sherwood;Alex H. de Vries;Martyn F. Guest;Georg Schreckenbach.
Journal of Molecular Structure-theochem (2003)
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
Marko Schreiber;Mario R. Silva-Junior;Stephan P. A. Sauer;Walter Thiel.
Journal of Chemical Physics (2008)
Coordination chemistry at carbon
Manuel Alcarazo;Christian W. Lehmann;Anakuthil Anoop;Walter Thiel.
Nature Chemistry (2009)
Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]
Volker Jonas;Walter Thiel.
Journal of Chemical Physics (1995)
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