๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Nuclear electric dipole shielding in molecular ions

โœ Scribed by Saul T. Epstein

Book ID
104804347
Publisher
Springer
Year
1982
Tongue
English
Weight
121 KB
Volume
61
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Calculations of nuclear electric shieldi
Calculations of nuclear electric shielding in molecules
โœ P. Lazzeretti; R. Zanasi ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 410 KB

The electncshieldmg tensor at nuclei III the molecules HzO, NH3, Cb and CO has been evaluated via coupled Hartree-Fock perturbation theory. The amrage trace of the shreldmg tensor 1s bnearly dependent on atomic electronegativities in the Isoelectronic senes Hz 0, NH3, C&.

The gradient of a molecular wavefunction
The gradient of a molecular wavefunction and its relation to the nuclear electric shielding
โœ P. Lazzeretti; R. Zanasi ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 302 KB

The elecnic shielding 01 a nucleus in a molecule can be expressed m Iemu of Ihe gradlent of the molecular warefunctlon. This gradienl can be cvalua1cd analylically via perturbalion theory. introducing the Hamikoman in the acceleraCon gauge. Consider a neutral molecule with n electrons and N nuclei,