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Walter Thiel: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Daron Green, Ian Boston, Walter Thiel
    Parallelisation in quantum chemistry: the MNDO code. [Citation Graph (0, 0)][DBLP]
    HPCN Europe, 1995, pp:880-885 [Conf]
  2. Rainer Steiger, Christian H. Bischof, Bruno Lang, Walter Thiel
    Using automatic differentiation to compute derivatives for a quantum-chemical computer program. [Citation Graph (0, 0)][DBLP]
    Future Generation Comp. Syst., 2005, v:21, n:8, pp:1324-1332 [Journal]
  3. Dirk Bakowies, Walter Thiel
    Semiempirical treatment of electrostatic potentials and partial charges in combined quantum mechanical and molecular mechanical approaches. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:1, pp:87-108 [Journal]
  4. Zhongfang Chen, Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Timothy Clark, Walter Thiel, Paul von Ragué Schleyer
    The structure and stability of Si60 and Ge60 cages: A computational study. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:8, pp:948-953 [Journal]
  5. Axel Koslowski, Michael E. Beck, Walter Thiel
    Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:6, pp:714-726 [Journal]
  6. Kerstin Möhle, Hans-Jörg Hofmann, Walter Thiel
    Description of peptide and protein secondary structures employing semiempirical methods. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2001, v:22, n:5, pp:509-520 [Journal]
  7. Serguei Patchkovskii, Walter Thiel
    Analytical second derivatives of the energy in MNDO methods. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:11, pp:1318-1327 [Journal]
  8. Serguei Patchkovskii, Walter Thiel
    NMR chemical shifts in MNDO approximation: Parameters and results for H, C, N, and O. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:12, pp:1220-1245 [Journal]
  9. Ahmet Altun, Sason Shaik, Walter Thiel
    Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:12, pp:1324-1337 [Journal]
  10. Fred A. Hamprecht, Walter Thiel, Wilfred F. van Gunsteren
    Chemical Library Subset Selection Algorithms: A Unified Derivation Using Spatial Statistics. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2002, v:42, n:2, pp:414-428 [Journal]

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