Calculations of Nuclear Electric Shielding in Molecules

Articolo
Data di Pubblicazione:
1980
Citazione:
Calculations of Nuclear Electric Shielding in Molecules / Lazzeretti, Paolo; R., Zanasi. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 71:(1980), pp. 529-533. [10.1016/0009-2614(80)80218-1]
Abstract:
The electric shielding tensor at nuclei in the molecules H2O, NH3, CH4 and CO has been evaluated via coupled Hartree-Fock perturbation theory. The average trace of the shielding tensor is linearly dependent on atomic electronegativities in the isoelectronic series H2O, NH3, CH4.
Tipologia CRIS:
Articolo su rivista
Keywords:
Nuclear Electric Shielding in Molecules
Elenco autori:
Link alla scheda completa:
https://iris.unimore.it/handle/11380/454488
Pubblicato in:
CHEMICAL PHYSICS LETTERS
Journal