𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the Spin–Spin Coupling Constants of Trimethylsilylated Iodoacetylene

✍ Scribed by Andrzej Ejchart; Adam Gryff-Keller

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
32 KB
Volume
4
Category
Article
ISSN
0947-6539

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 👁 1 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

Correlated response calculations of the
Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings
✍ Vaara, Juha; Ruud, Kenneth; Vahtras, Olav 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 241 KB 👁 2 views

We present ab initio perturbation calculations of the electronic spin᎐orbit interaction contributions to indirect spin᎐spin coupling tensors using linear and quadratic response methods. The effects of both the Fermi-contact and the spin᎐dipole interactions as well as the one-and two-electron spin᎐or

On the evaluation of spin–orbit coupling
On the evaluation of spin–orbit coupling matrix elements in a spin-adapted basis
✍ Thomas La Cour Jansen; Sten Rettrup; C. R. Sarma; Jaap G. Snijders; Paolo Palmie 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 240 KB 👁 1 views

In the present article, we outline a simple scheme for generating configuration interaction matrix elements for spin᎐orbit interactions in molecules. The procedure leads to a close parallelism with spin-free permutation-group approaches. Unitary shift operators were successfully used on the orbital

Sensitive Measurement of One-Bond Carbon
Sensitive Measurement of One-Bond Carbon–Carbon Spin Coupling Constants at Natural Isotope Abundance
✍ Wiktor Koźmiński; David Sperandio; Daniel Nanz 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 427 KB 👁 1 views

## Two new experiments for the assignment and determination of 1J(13C,'3C) coupling constants of H-C-C fragments at natural isotope abundance are presented which exploit proton equilibrium polarization and proton signal intensity. The first experiment, which represents a J-resolved modification of