𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical Studies of Solvent Effects on Nuclear Spin–Spin Coupling Constants. I. The Reaction Field Model

✍ Scribed by Johnston, Milton D.

Book ID
121791199
Publisher
American Institute of Physics
Year
1971
Tongue
English
Weight
992 KB
Volume
54
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Solvent effects on the spin–spin couplin
Solvent effects on the spin–spin coupling constants of acetylene revisited: supermolecular and polarizable continuum model calculations
✍ Magdalena Pecul; Kenneth Ruud 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 213 KB 👁 1 views

The solvent shifts of the spin-spin coupling constants of acetylene were calculated using the polarizable continuum model (PCM) for solvents ranging in polarity from cyclohexane to water, using both density functional theory (DFT) and the complete active space self-consistent field (CASSCF) method.