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Calculation of nuclear spin-spin coupling constants by SCF perturbation theory with MINDO/3 approximation

✍ Scribed by Prabhat K. K. Pandey; P. Chandra

Publisher
Springer
Year
1978
Tongue
English
Weight
558 KB
Volume
50
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

Self-consistent perturbation theory calc
Self-consistent perturbation theory calculations of nuclear spin coupling constants in thiophenes
✍ V. Galasso 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 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

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Indirect nuclear spin–spin coupling constants in 1,2-diboretane-3-ylidene, a homoaromatic system with π and σ 3c/2e bonds. Comparison of experimental data with calculations using density functional theory (DFT)
✍ Bernd Wrackmeyer; Armin Berndt 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 182 KB 👁 1 views

## Abstract The non‐classical 1,2‐diboretane‐3‐ylidene **1a** was studied by ^13^C and ^29^Si NMR spectroscopy in order to obtain coupling constants ^1^__J__(^13^C,^11^B) and ^1^__J__(^29^Si,^13^C). The magnitudes of ^1^__J__(^13^C,^11^B) were deduced from linewidth measurements in low‐temperature