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Walter Thiel

Active 1967–2021

114
Papers
32,463
Citations
81
h-index
111
i10-index

Citations

Citations per year for Walter Thiel1967: 2 citations1977: 2 citations1978: 5 citations1979: 4 citations1980: 1 citations1983: 2 citations1984: 1 citations1986: 2 citations1987: 8 citations1988: 9 citations1989: 12 citations1990: 25 citations1991: 22 citations1992: 19 citations1993: 41 citations1994: 26 citations1995: 20 citations1996: 44 citations1997: 34 citations1998: 24 citations1999: 43 citations2000: 63 citations2001: 41 citations2002: 52 citations2003: 68 citations2004: 91 citations2005: 137 citations2006: 197 citations2007: 143 citations2008: 182 citations2009: 303 citations2010: 232 citations2011: 259 citations2012: 261 citations2013: 252 citations2014: 223 citations2015: 234 citations2016: 234 citations2017: 148 citations2018: 241 citations2019: 426 citations2020: 506 citations2021: 382 citations2022: 274 citations2023: 269 citations2024: 384 citations2025: 229 citations2026: 10 citations1968–1976: no citations, so these years are not shown1981–1982: no citations, so these years are not shown1985: no citations, so this year is not shown

Citation sources

Countries

World map of the countries and regions citing this authorUnited States: 1,169 citing papers, 20.3% of this breakdownGermany: 769 citing papers, 13.4% of this breakdownChina: 526 citing papers, 9.2% of this breakdownUnited Kingdom: 376 citing papers, 6.5% of this breakdownFrance: 233 citing papers, 4.1% of this breakdownItaly: 225 citing papers, 3.9% of this breakdownSpain: 204 citing papers, 3.5% of this breakdownSwitzerland: 196 citing papers, 3.4% of this breakdownJapan: 195 citing papers, 3.4% of this breakdownIndia: 166 citing papers, 2.9% of this breakdownAustria: 127 citing papers, 2.2% of this breakdownSweden: 127 citing papers, 2.2% of this breakdown
0%20.3%Other 25%

Institutions

Fields

  • Chemistry22.6%
  • Biochemistry, Genetics and Molecular Biology20.1%
  • Physics and Astronomy14.2%
  • Materials Science13.3%
  • Medicine7.2%
  • Computer Science6.6%
  • Other16%

Topics

  • Spectroscopy and Quantum Chemical Studies5.7%
  • Protein Structure and Dynamics5.6%
  • Computational Drug Discovery Methods5%
  • Advanced Chemical Physics Studies5%
  • Metal-Catalyzed Oxygenation Mechanisms4.2%
  • Machine Learning in Materials Science3.1%
  • Other71.4%

Coauthors

All papers

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  1. QM/MM Methods for Biomolecular Systems

    Authors: Hans Martin Senn, Walter Thiel - Angewandte Chemie International Edition 2009 cited by 2,700

  2. P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

    Authors: Sason Shaik, Shimrit Cohen, Yong Wang, Hui Chen, Devesh Kumar, Walter Thiel - Chemical Reviews 2009 cited by 1,071

  3. Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

    Authors: Dirk Bakowies, Walter Thiel - The Journal of Physical Chemistry 1996 cited by 1,263

  4. DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations

    Authors: Johannes Kästner, Joanne M. Carr, Thomas W. Keal, Walter Thiel, A. Wander, Paul Sherwood - The Journal of Physical Chemistry A 2009 cited by 650

  5. Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes

    Authors: Sason Shaik, Devesh Kumar, Sam P. de Visser, Ahmet Altun, Walter Thiel - Chemical Reviews 2005 cited by 1,236

  6. QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

    Authors: Paul Sherwood, Alex H. de Vries, Martyn F. Guest, Georg Schreckenbach, C. Richard A. Catlow, Samuel A. French, Alexey A. Sokol, Stefan T. Bromley, Walter Thiel, Alex Turner, Salomon R. Billeter, Frank Terstegen, Stephan Thiel, John Kendrick, Stephen C. Rogers, John L. Casci, M. Watson, Frank D. King, Elly J. Karlsen, Merethe Sjøvoll, Adil Fahmi, Ansgar Schäfer, Christian Lennartz - Journal of Molecular Structure THEOCHEM 2003 cited by 1,049

  7. Die Konservierung ganzer Leichen in natürlichen Farben

    Authors: Walter Thiel - Annals of Anatomy - Anatomischer Anzeiger 1992 cited by 731

  8. Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: “Umbrella integration”

    Authors: Johannes Kästner, Walter Thiel - The Journal of Chemical Physics 2005 cited by 473

  9. Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels

    Authors: Pavlo O. Dral, A. Owens, S. N. Yurchenko, Walter Thiel - The Journal of Chemical Physics 2017 cited by 167

  10. Ground states of molecules. 38. The MNDO method. Approximations and parameters

    Authors: Michael J. S. Dewar, Walter Thiel - Journal of the American Chemical Society 1977 cited by 5,126

  11. Semiempirical quantum–chemical methods

    Authors: Walter Thiel - Wiley Interdisciplinary Reviews Computational Molecular Science 2013 cited by 361

  12. Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinates

    Authors: Salomon R. Billeter, Alexander J. Turner, Walter Thiel - Physical Chemistry Chemical Physics 2000 cited by 465

  13. QM/MM Methods for Biological Systems

    Authors: Hans Martin Senn, Walter Thiel - Topics in Current Chemistry 2006 cited by 431

  14. QM/MM studies of enzymes

    Authors: Hans Martin Senn, Walter Thiel - Current Opinion in Chemical Biology 2007 cited by 374

  15. Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase

    Authors: Rong-Zhen Liao, Walter Thiel - Journal of Computational Chemistry, J. Comput. Chem. 2013 cited by 162

  16. Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

    Authors: Xing Gao, Shuming Bai, Daniele Fazzi, Thomas A. Niehaus, Mario Barbatti, Walter Thiel - Journal of Chemical Theory and Computation 2016 cited by 387

  17. Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations

    Authors: Pavlo O. Dral, O. Anatole von Lilienfeld, Walter Thiel - Journal of Chemical Theory and Computation 2015 cited by 113

  18. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

    Authors: Marko Schreiber, Mario R. Silva‐Junior, Stephan P. A. Sauer, Walter Thiel - The Journal of Chemical Physics 2008 cited by 1,004

  19. Implementation of surface hopping molecular dynamics using semiempirical methods

    Authors: Eduardo Fabiano, Thomas W. Keal, Walter Thiel - Chemical Physics 2008 cited by 257

  20. Two States and Two More in the Mechanisms of Hydroxylation and Epoxidation by Cytochrome P450

    Authors: Hajime Hirao, Devesh Kumar, Walter Thiel, Sason Shaik - Journal of the American Chemical Society 2005 cited by 172

  21. Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene Hydratase

    Authors: Rong‐Zhen Liao, Walter Thiel - Journal of Chemical Theory and Computation 2012 cited by 105

  22. Quantum Mechanical/Molecular Mechanical Investigation of the Mechanism of C−H Hydroxylation of Camphor by Cytochrome P450cam: Theory Supports a Two-State Rebound Mechanism

    Authors: Jan Schöneboom, Shimrit Cohen, Hai Lin, Sason Shaik, Walter Thiel - Journal of the American Chemical Society 2004 cited by 284

  23. High‐Accuracy Computation of Reaction Barriers in Enzymes

    Authors: Frederik Claeyssens, Jeremy N. Harvey, Frederick R. Manby, Ricardo A. Mata, Adrian J. Mulholland, Kara E. Ranaghan, Martin Schütz, Stephan Thiel, Walter Thiel, Hans‐Joachim Werner - Angewandte Chemie International Edition 2006 cited by 270

  24. Theoretical Study on the Mechanism of the Oxygen Activation Process in Cysteine Dioxygenase Enzymes

    Authors: Devesh Kumar, Walter Thiel, Sam P. de Visser - Journal of the American Chemical Society 2011 cited by 213