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Disambiguation of "Thiel, Walter"

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Semiempirical quantum–chemical methods

. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4 (2): 145--157 (July 2014)
DOI: 10.1002/wcms.1161

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Walter Thiel

Walter Thiel

Walter Thiel

Walter Thiel

Walter Thiel

 

Other publications of authors with the same name

Multipoles and Symmetry, , and . Journal of Chemical Education, 72 (6): 505 (June 1995)Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor., , and . J. Comput. Chem., 27 (12): 1324-1337 (2006)Parallelisation in quantum chemistry: the MNDO code., , and . HPCN Europe, volume 919 of Lecture Notes in Computer Science, page 880-885. Springer, (1995)The Importance of the Active Site Histidine for the Activity of Epoxide- or Aziridine-Based Inhibitors of Cysteine Proteases, , , , and . ChemMedChem, 2 (1): 120--128 (January 2007)On the Origin of the Stabilization of the Zwitterionic Resting State of Cysteine Proteases: A Theoretical Study, , , , and . Journal of the American Chemical Society, 130 (27): 8696--8705 (July 2008)NMR chemical shifts in MNDO approximation: Parameters and results for H, C, N, and O., and . J. Comput. Chem., 20 (12): 1220-1245 (1999)Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge., , , , , , , , , and 2 other author(s). J. Comput. Aided Mol. Des., 30 (11): 989-1006 (2016)QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis, , , , , , , , , and . Journal of Molecular Structure: THEOCHEM, 632 (1-3): 1--28 (August 2003)Atomistic Insights into the Inhibition of Cysteine Proteases: First QM/MM Calculations Clarifying the Stereoselectivity of Epoxide-Based Inhibitors, , , , , and . The Journal of Physical Chemistry B, 112 (37): 11798--11808 (September 2008)Atomistic Insights into the Inhibition of Cysteine Proteases:~ First QM/MM Calculations Clarifying the Regiospecificity and the Inhibition Potency of Epoxide- and Aziridine-Based Inhibitors, , , , , and . The Journal of Physical Chemistry B, 112 (17): 5458--5469 (May 2008)