MAGNETIZABILITY AND NUCLEAR SHIELDING CONSTANTS OF SOLVATED WATER

Authors
MIKKELSEN KV RUUD K HELGAKER T
Citation
Kv. Mikkelsen et al., MAGNETIZABILITY AND NUCLEAR SHIELDING CONSTANTS OF SOLVATED WATER, Chemical physics letters, 253(5-6), 1996, pp. 443-447
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
253
Issue
5-6
Year of publication
1996
Pages
443 - 447
Database
ISI
SICI code
0009-2614(1996)253:5-6<443:MANSCO>2.0.ZU;2-N
Abstract
We apply a recently developed model for calculating gauge origin indep endent molecular magnetic properties of solvated molecules to determin e the magnetizability and nuclear shielding constants of solvated wate r. The solute is surrounded by a solvation shell and this supermolecul e is enclosed in a spherical cavity immersed in a dielectric medium.