Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3465553
Reference116 articles.
1. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
2. Recent Advances in Theoretical Calculations of Indirect Spin–Spin Coupling Constants
3. The quantum-chemical calculation of NMR indirect spin–spin coupling constants
4. Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi‐Electron Model of Cyclic Polyenes
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