The use of locally dense basis sets in the calculation of indirect nuclear spin–spin coupling constants: The vicinal coupling constants in H3C–CH2X (X=H, F, Cl, Br, I)
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.481219
Reference42 articles.
1. Basis-set dependence of nuclear spin-spin coupling constants
2. Basis sets and active space in multiconfigurational self-consistent field calculations of nuclear magnetic resonance spin–spin coupling constants
3. Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)
4. Application of Many‐Body Perturbation Theory to the Hydrogen Molecule
5. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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