Quo Vadis semiempirical MO-theory?

Authors
Clark, T
Citation
T. Clark, Quo Vadis semiempirical MO-theory?, J MOL ST-TH, 530(1-2), 2000, pp. 1-10
Citations number
83
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
530
Issue
1-2
Year of publication
2000
Pages
1 - 10
Database
ISI
SICI code
0166-1280(20000918)530:1-2<1:QVSM>2.0.ZU;2-W
Abstract
Some of the essential features, strengths and weaknesses of semiempirical M O theory are discussed and suggestions made as to the role of this type of theory in the future and likely development directions. The impact of theor ies with an empirical component on computational chemistry is discussed. (C ) 2000 Elsevier Science B.V. AU rights reserved.