Basissatz (Chemie) (German Wikipedia)

Analysis of information sources in references of the Wikipedia article "Basissatz (Chemie)" in German language version.

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  • Frank Jensen: Atomic orbital basis sets. In: WIREs Comput. Mol. Sci. 3. Jahrgang, Nr. 3, 2013, S. 273–295, doi:10.1002/wcms.1123.
  • Ernest R. Davidson, David Feller: Basis set selection for molecular calculations. In: Chemical Reviews. Band 86, Nr. 4, August 1986, S. 681–696, doi:10.1021/cr00074a002.
  • Ernest Davidson, David Feller: Basis set selection for molecular calculations. In: Chem. Rev. 86. Jahrgang, Nr. 4, 1986, S. 681–696, doi:10.1021/cr00074a002.
  • R. Ditchfield, W. J. Hehre, J. A. Pople: Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules. In: The Journal of Chemical Physics. Band 54, Nr. 2, 15. Januar 1971, S. 724–728, doi:10.1063/1.1674902.
  • Damian Moran, Andrew C. Simmonett, Franklin E. III Leach, Wesley D. Allen, Paul v. R. Schleyer, Henry F. Schaefer: Popular theoretical methods predict benzene and arenes to be nonplanar. In: J. Am. Chem. Soc. 128. Jahrgang, Nr. 29, 2006, S. 9342–9343, doi:10.1021/ja0630285.
  • Thomas H. Dunning: Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. In: J. Chem. Phys. 90. Jahrgang, Nr. 2, 1989, S. 1007–1023, doi:10.1063/1.456153, bibcode:1989JChPh..90.1007D.
  • Frank Jensen: Polarization consistent basis sets: Principles. In: J. Chem. Phys. 115. Jahrgang, Nr. 20, 2001, S. 9113–9125, doi:10.1063/1.1413524, bibcode:2001JChPh.115.9113J.
  • Pekka Manninen, Juha Vaara: Systematic Gaussian basis-set limit using completeness-optimized primitive sets. A case for magnetic properties. In: J. Comput. Chem. 27. Jahrgang, Nr. 4, 2006, S. 434–445, doi:10.1002/jcc.20358, PMID 16419020.
  • Delano P. Chong: Completeness profiles of one-electron basis sets. In: Can. J. Chem. 73. Jahrgang, Nr. 1, 1995, S. 79–83, doi:10.1139/v95-011.
  • Susi Lehtola: Automatic algorithms for completeness-optimization of Gaussian basis sets. In: J. Comput. Chem. 36. Jahrgang, Nr. 5, 2015, S. 335–347, doi:10.1002/jcc.23802.

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  • Pekka Manninen, Juha Vaara: Systematic Gaussian basis-set limit using completeness-optimized primitive sets. A case for magnetic properties. In: J. Comput. Chem. 27. Jahrgang, Nr. 4, 2006, S. 434–445, doi:10.1002/jcc.20358, PMID 16419020.