Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei. II. Quantitative results in HX (X=H,F,Cl,Br,I) compounds
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4796461
Reference55 articles.
1. Rovibrationally averaged nuclear magnetic shielding tensors calculated at the coupled‐cluster level
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3. Perturbation‐dependent atomic orbitals for the calculation of spin‐rotation constants and rotational g tensors
4. Coupled-cluster calculations of spin-rotation constants
5. The nuclear-spin-rotation constants of HCY, HSiY, and SiY2 (Y=F, Cl): An ab initio study
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1. A relativistic relationship between parity-violating nuclear spin-rotation tensors and parity-violating NMR shielding tensors;The Journal of Chemical Physics;2023-03-01
2. Parity-violating contributions to nuclear spin-rotation interactions and to NMR shielding constants in tetrahedral molecules;Physical Review A;2022-12-01
3. Relativistic study of parity-violating nuclear spin-rotation tensors;The Journal of Chemical Physics;2021-10-07
4. Relativistic corrections of the electric field gradient in dihalogen molecules XY ( X , Y = F, Cl, Br, I, At) within the linear response elimination of the small component formalism;International Journal of Quantum Chemistry;2021-07-26
5. Absolute NMR shielding scales in methyl halides obtained from experimental and calculated nuclear spin-rotation constants;Physical Review A;2021-07-14
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