Hierarchical Basis Sets for the Calculation of Nuclear Magnetic Resonance Spin–Spin Coupling Constants Involving Either Selenium or Tellurium Nuclei
Author:
Affiliation:
1. Siberian Branch of the Russian Academy of Sciences, A. E. Favorsky Irkutsk Institute of Chemistry, Favorsky St. 1, 664033 Irkutsk, Russian Federation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b05276
Reference43 articles.
1. Pople Style Basis Sets for the Calculation of NMR Spin–Spin Coupling Constants: the 6-31G-J and 6-311G-J Basis Sets
2. Structural trends of 77 Se1 H spin-spin coupling constants and conformational behavior of 2-substituted selenophenes
3. First example of a high-level correlated calculation of the indirect spin–spin coupling constants involving tellurium: tellurophene and divinyl telluride
4. Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
5. Relativistic and nonrelativistic finite nucleus optimized triple-zeta basis sets for the 4 p , 5 p and 6 p elements
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