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Analysis of the diamagnetic spin-orbital contribution to indirect nuclear spin-spin coupling constants

✍ Scribed by J.E. Pérez; F.S. Ortiz; R.H. Contreras; C.G. Giribet; M.C.Ruiz De Azúa

Book ID
113256969
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
389 KB
Volume
210
Category
Article
ISSN
0166-1280

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Calculations of the orbital diamagnetic
Calculations of the orbital diamagnetic contribution to nuclear spin-spin coupling constants for molecules with multiple bonds
✍ Richard E. Overill; Victor R. Saunders 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 290 KB

Ab initio SCF and Cl calculations of the orbital diama:gwtic contribution to nuclear spin-spin coupling constants ha\c been performed for a series of moicculcs containinp multiple bonds. A striking feature of the results is the prediction of consistently large contributions to vicinal (trans) and gc