✦ LIBER ✦

Solvent Effects on the Indirect Spin–Spin Coupling Constants of Benzene: The DFT-PCM Approach

✍ Scribed by Ruud, Kenneth; Frediani, Luca; Cammi, Roberto; Mennucci, Benedetta

Book ID: 118183489
Publisher: Molecular Diversity Preservation International
Year: 2003
Tongue: English
Weight: 121 KB
Volume: 4
Category: Article
ISSN: 1422-0067
DOI: 10.3390/i4030119

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 between geminal allenic protons

✍ Maryvonne L. Martin; Gérard J. Martin; René Couffignal 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 242 KB

Calculation of indirect nuclear spin–spi

Calculation of indirect nuclear spin–spin coupling constants within the regular approximation for relativistic effects

✍ Filatov, Michael; Cremer, Dieter 📂 Article 📅 2004 🏛 American Institute of Physics 🌐 English ⚖ 429 KB

Theoretical Studies of Solvent Effects o

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

✍ Johnston, Milton D. 📂 Article 📅 1971 🏛 American Institute of Physics 🌐 English ⚖ 992 KB

The effect of isotopic substitution on s

The effect of isotopic substitution on spin-spin coupling constants

✍ M Murray 📂 Article 📅 1973 🏛 Elsevier Science ⚖ 224 KB

The Effect of Hyperconjugation on the Ge

The Effect of Hyperconjugation on the Geminal Spin-Spin Coupling Constant

✍ Barfield, Michael.; Grant, David M. 📂 Article 📅 1963 🏛 American Chemical Society 🌐 English ⚖ 796 KB

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.