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Updated: Aug 30, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition

Tommaso Nottoli1, Sophia Burger2, Stella Stopkowicz2

  • 1Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy.

The Journal of Chemical Physics
|September 1, 2022
PubMed

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