W
Walter Thiel
Researcher at Max Planck Society
Publications - 704
Citations - 46598
Walter Thiel is an academic researcher from Max Planck Society. The author has contributed to research in topics: Ab initio & Ab initio quantum chemistry methods. The author has an hindex of 93, co-authored 704 publications receiving 43213 citations. Previous affiliations of Walter Thiel include University of Copenhagen & University of Düsseldorf.
Papers
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Journal ArticleDOI
Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters
Michael J. S. Dewar,Walter Thiel +1 more
Journal ArticleDOI
QM/MM Methods for Biomolecular Systems
Hans Martin Senn,Walter Thiel +1 more
TL;DR: To model large biomolecules the logical approach is to combine the two techniques and to use a QM method for the chemically active region and an MM treatment for the surroundings, enabling the modeling of reactive biomolecular systems at a reasonable computational effort while providing the necessary accuracy.
Journal ArticleDOI
Ground States of Molecules. 39. MNDO Results for Molecules Containing Hydrogen, Carbon, Nitrogen, and Oxygen
Michael J. S. Dewar,Walter Thiel +1 more
Journal ArticleDOI
Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches
Dirk Bakowies,Walter Thiel +1 more
TL;DR: A hierarchy of three models for combined quantum mechanical (QM) and molecular mechanical (MM) approaches is presented in this paper, which simplify the QM description of large molecules by reducing it to the electronically important fragment which interacts with the molecular mechanically treated remainder of the molecule.