Trends in EPR g-tensors and hyperfine coupling constants of the isomer pairs HCO/COH, HCS/CSH, HSiO/SiOH and HSiS/SiSH
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference41 articles.
1. Coupled Cluster CCSD(T) Calculations of Equilibrium Geometries, Anharmonic Force Fields, and Thermodynamic Properties of the Formyl (HCO) and Isoformyl (COH) Radical Species
2. Coupled-cluster ab initio investigation of singlet/triplet CH2S isomers and the reaction of atomic carbon with hydrogen sulfide to HCS/HSC
3. Theoretical investigation of the structures and relative energies of the isomer pairs HSiS/SiSH, HSiS+/SiSH+, and HSiS-/SiSH-
4. MRD-CI study on the isomers SiOH and HSiO
5. The SiOH–HSiO system: A high level quantum mechanical study
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4. Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory;Journal of Chemical Theory and Computation;2011-06-06
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