ONIOM as an efficient tool for calculating NMR chemical shielding constants in large molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference21 articles.
1. UNDERSTANDING NMR CHEMICAL SHIFTS
2. Ab initio calculations of the NMR chemical shift
3. Theory and calculation of nuclear shielding constants
4. Calculation of NMR chemical shifts at second-order many-body perturbation theory using gauge-including atomic orbitals
5. Effects of electron correlation in the calculation of nuclear magnetic resonance chemical shifts
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