𝔖 Bobbio Scriptorium
✦   LIBER   ✦

CNDO/SP calculation of the spin—spin coupling constants J13CH in C6H7 cation

✍ Scribed by G.M. Zhidomirov; I.A. Abronin

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
172 KB
Volume
21
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Application of MNDO Approximation to the
Application of MNDO Approximation to the Calculation of Nuclear Spin–Spin Coupling Constants. I. Substituent Effect on 1H–13C Coupling Constants Methane Derivatives
✍ Roberta Musio; Oronzo Sciacovelli 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 246 KB 👁 2 views

Theoretical calculations performed using the coupled Hartree-Fock perturbation theory (CHFPT) show that the MNDO approximation is superior to INDO and MIND03 in computing nuclear spin coupling constants between directly bonded carbon and hydrogen in polysubstituted methanes, HCXYZ. The CHFPT-MNDO pr

The Calculation of Indirect Nuclear Spin
The Calculation of Indirect Nuclear Spin–Spin Coupling Constants in Large Molecules
✍ Mark A. Watson; Paweł Sałek; Peter Macak; Michał Jaszuński; Trygve Helgaker 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 372 KB 👁 1 views

## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor

Long-range 13C1H spin—spin coupling cons
Long-range 13C1H spin—spin coupling constants in the conformational analysis of formyl derivatives of furan and thiophene
✍ Rois Benassi; Ugo Folli; Adele Mucci; Luisa Schenetti; Ferdinando Taddei 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 672 KB

Long-range coupling constants, "J(C, H), involving the formyl proton or carbon and the carbons or protons of the heterocyclic ring, were measured in the two isomeric formyl-furans and -thiophenes by employing coupled 13C NMR spectra. In furan-2-carboxaldehyde these coupling constants, obtained in so