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Convergence of the perturbation theory expansion for spin-spin coupling constants

✍ Scribed by Waldemar Adam; Alec Grimison; Phillip A. Sprangle

Publisher
Springer
Year
1970
Tongue
English
Weight
211 KB
Volume
18
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Finite perturbation theory for nuclear s
Finite perturbation theory for nuclear spin coupling constants
✍ J.A. Pople; J.W. McIver Jr.; N.S. Ostlund πŸ“‚ Article πŸ“… 1967 πŸ› Elsevier Science 🌐 English βš– 214 KB

Nuclear spin coupling constants are calculated using approximate SCF wavehmctions and a finite perturbation method. The results reproduce many of the experimental features and trends of coupIing constants for carbon and hydrogen. We are developing a simple theoretical method

Self-consistent perturbation theory calc
Self-consistent perturbation theory calculations of nuclear spin coupling constants in thiophenes
✍ V. Galasso πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 198 KB

The rmg proton-proton couplmg constants of thlophene and 14 monosubstltuted derrvatwes have been calculated usmg the perturbed SCF INDO method The results reproduce satlsfactorlly signs, magmtudes and some trends of the experunental values, but the mternal order of long-range constants In the 3-subs