COORDINATION OF THIA-CROWN ETHERS WITH NICKEL, COBALT, COPPER AND IRON - THE SIC-LSD-VWN-R METHOD

Authors
GALLEGOPLANAS N WHITEHEAD MA
Citation
N. Gallegoplanas et Ma. Whitehead, COORDINATION OF THIA-CROWN ETHERS WITH NICKEL, COBALT, COPPER AND IRON - THE SIC-LSD-VWN-R METHOD, Journal of molecular structure. Theochem, 428, 1998, pp. 83-107
Citations number
13
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
428
Year of publication
1998
Pages
83 - 107
Database
ISI
SICI code
0166-1280(1998)428:<83:COTEWN>2.0.ZU;2-A
Abstract
The self-interaction corrected local spin density with Vosko Wilks and Nazair correlation and relativistic corrections within the self-consi stent field iteration is applied to the coordination between the crown -ether 18S6 and nickel, cobalt, copper and iron. The dibenzo 18S6 coor dination compounds are also studied. (C) 1998 Elsevier Science B.V.