An Efficient Method for Contraction of Property-Oriented Basis Sets: A Considerable Reduction of the pecJ-1 and pecJ-2 Basis Sets for the Calculations of Spin–Spin Coupling Constants Involving H, C, N and F Nuclei.
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| Title: | An Efficient Method for Contraction of Property-Oriented Basis Sets: A Considerable Reduction of the pecJ-1 and pecJ-2 Basis Sets for the Calculations of Spin–Spin Coupling Constants Involving H, C, N and F Nuclei. |
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| Authors: | Rusakova, Irina L.1 (AUTHOR) i-rusakova@bk.ru, Rusakov, Yuriy Yu.1 (AUTHOR) |
| Source: | International Journal of Molecular Sciences. May2026, Vol. 27 Issue 10, p4650. 24p. |
| Database: | Academic Search Ultimate |
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| ISSN: | 16616596 |
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| DOI: | 10.3390/ijms27104650 |
