NDDO quantum chemical calculations of molecules. A comparison between the modified version and the AM1 method

Authors
Zaets, VA Gerda, VI Gorlov, YI Klimenko, VE
Citation
Va. Zaets et al., NDDO quantum chemical calculations of molecules. A comparison between the modified version and the AM1 method, J STRUCT CH, 40(1), 1999, pp. 94-100
Citations number
8
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
40
Issue
1
Year of publication
1999
Pages
94 - 100
Database
ISI
SICI code
0022-4766(199901/02)40:1<94:NQCCOM>2.0.ZU;2-0
Abstract
Advantages and disadvantages of two approaches to electronic structure calc ulations of molecules using the NDDO approximation are revealed.