Which density functional should be used to model hydration?

Authors
Hall, RJ Hillier, IH Vincent, MA
Citation
Rj. Hall et al., Which density functional should be used to model hydration?, CHEM P LETT, 320(1-2), 2000, pp. 139-143
Citations number
11
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
320
Issue
1-2
Year of publication
2000
Pages
139 - 143
Database
ISI
SICI code
0009-2614(20000331)320:1-2<139:WDFSBU>2.0.ZU;2-3
Abstract
The ability of a range of density functionals, which do not include Hartree -Fock exchange, to describe aqueous solvation energetics has been tested. N o good universal functional has been identified. (C) 2000 Elsevier Science B.V. All rights reserved.