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Corvergence of Nuclear Magnetic Shieldings in the Kohn-Sham Limit for Several Small Molecules
- 1.0342972 - ÚOCHB 2011 RIV US eng J - Journal Article
Kupka, T. - Stachów, M. - Nieradka, M. - Kaminský, Jakub - Pluta, T.
Corvergence of Nuclear Magnetic Shieldings in the Kohn-Sham Limit for Several Small Molecules.
Journal of Chemical Theory and Computation. Roč. 6, č. 6 (2010), s. 1580-1589. ISSN 1549-9618. E-ISSN 1549-9626
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR * DFT * extrapolation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.138, year: 2010
Permanent Link: http://hdl.handle.net/11104/0185567
Number of the records: 1