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  • 1
    Electronic Resource
    Electronic Resource
    Polarization functions for gaussian basis sets for the first row atoms (1977)
    Springer
    Theoretical chemistry accounts 45 (1977), S. 205-213 
    Details
    ISSN: 1432-2234
    Keywords: Polarization functions, exponent optimization of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Exponent optimization was performed for a single set ofd-type Gaussians on the first row atoms C, N, and O in fifteen small molecules. The hydrogenp-exponents were kept at the fixed value of 1.0. For the underlying valence shell basis sets, Dunning's double zeta basis sets were used. Standard exponents of polarization functions are suggested for the most common valence states of the C, N, and O atoms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02401401
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Polarization functions for gaussian basis sets for the first row atoms (1977)
    Springer
    Theoretical chemistry accounts 45 (1977), S. 205-213 
    Details
    ISSN: 1432-2234
    Keywords: Polarization functions, exponent optimization of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Exponent optimization was performed for a single set ofd-type Gaussians on the first row atoms C, N, and O in fifteen small molecules. The hydrogenp-exponents were kept at the fixed value of 1.0. For the underlying valence shell basis sets, Dunning's double zeta basis sets were used. Standard exponents of polarization functions are suggested for the most common valence states of the C, N, and O atoms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00552682
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
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