𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Orbital contributions to the nuclear spin-spin coupling constants of bicyclobutane and cyclopropane

✍ Scribed by Wellington S Lee; Jerome M Schulman


Publisher
Elsevier Science
Year
1979
Weight
141 KB
Volume
35
Category
Article
ISSN
0022-2364

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Correlated response calculations of the
✍ Vaara, Juha; Ruud, Kenneth; Vahtras, Olav πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 241 KB πŸ‘ 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

Calculations of the orbital diamagnetic
✍ Richard E. Overill; Victor R. Saunders πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 290 KB

Ab initio SCF and Cl calculations of the orbital diama:gwtic contribution to nuclear spin-spin coupling constants ha\c been performed for a series of moicculcs containinp multiple bonds. A striking feature of the results is the prediction of consistently large contributions to vicinal (trans) and gc

The orbital diamagnetic contribution to
✍ Richard E. Overill; Martyn F. Guest πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 321 KB

Ab initio calculations of the orbital diamagnetic contrrbutions to nuclear spin-spin coupling constants in the first-and second-row hydrides have been performed. The gaussian basis set dependence of this property has been studied and the effects of electron correlation have been investigated\_ The i

A density functional theory of the Fermi
✍ Christopher J. Grayce; Robert A. Harris πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 224 KB

The authors' magnetic field density functional theory is extended to include electron spin-dependent interactions. Coupling the new theory with traditional spin density functional theory in the local limit yields a linear differential equation for the net spin density. The coefficients in the equat