COMPUTER APPLICATION OF AN INCREMENTAL SYSTEM FOR CALCULATING THE C-13 NMR-SPECTRA OF AROMATIC-COMPOUNDS

Authors
THOMAS S STROHL D KLEINPETER E
Citation
S. Thomas et al., COMPUTER APPLICATION OF AN INCREMENTAL SYSTEM FOR CALCULATING THE C-13 NMR-SPECTRA OF AROMATIC-COMPOUNDS, Journal of chemical information and computer sciences, 34(4), 1994, pp. 725-729
Citations number
14
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
34
Issue
4
Year of publication
1994
Pages
725 - 729
Database
ISI
SICI code
0095-2338(1994)34:4<725:CAOAIS>2.0.ZU;2-T
Abstract
A computer program with many useful functions for the prediction and a ssignment of the C-13 NMR spectra Of substituted benzenes, naphthalene s, and biphenyls is described. Additionally, for benzenes and naphthal enes, the program proved useful in searching for the types of substitu ents and their positions on the rings of the studied aromatic compound .