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A Lanczos-based algorithm for the analysis of NMR spin–spin coupling constants in terms of pairs of occupied and virtual orbitals: The Fermi-contact term at the RPA level of theory.

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Title: A Lanczos-based algorithm for the analysis of NMR spin–spin coupling constants in terms of pairs of occupied and virtual orbitals: The Fermi-contact term at the RPA level of theory.
Authors: Zahn, Sarah L. V.1, Zamok, Luna1, Coriani, Sonia2, Sauer, Stephan P. A.1 sauer@chem.ku.dk
Source: Journal of Chemical Physics. 7/14/2026, Vol. 165 Issue 2, p1-15. 15p.
Database: Academic Search Ultimate
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DbLabel: Academic Search Ultimate
An: 195343594
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PubType: Academic Journal
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  Data: A Lanczos-based algorithm for the analysis of NMR spin–spin coupling constants in terms of pairs of occupied and virtual orbitals: The Fermi-contact term at the RPA level of theory.
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  Data: <searchLink fieldCode="AR" term="%22Zahn%2C+Sarah+L%2E+V%2E%22">Zahn, Sarah L. V.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Zamok%2C+Luna%22">Zamok, Luna</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Coriani%2C+Sonia%22">Coriani, Sonia</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Sauer%2C+Stephan+P%2E+A%2E%22">Sauer, Stephan P. A.</searchLink><relatesTo>1</relatesTo><i> sauer@chem.ku.dk</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Chemical+Physics%22">Journal of Chemical Physics</searchLink>. 7/14/2026, Vol. 165 Issue 2, p1-15. 15p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=195343594
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        Value: 10.1063/5.0335205
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      – Code: eng
        Text: English
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      – TitleFull: A Lanczos-based algorithm for the analysis of NMR spin–spin coupling constants in terms of pairs of occupied and virtual orbitals: The Fermi-contact term at the RPA level of theory.
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              Text: 7/14/2026
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              Y: 2026
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