ISSN:
1573-4951
Keywords:
Tetramic acid
;
Tetronic acid
;
AM1
;
MNDO
;
PM3
;
SCF-MO
;
Tautomerism
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary A number of tautomeric geometries of 3-acetyl tetramic acid and 3-acetyl tetronic acid were examined using the AM1 and PM3 methods. The results are compared with experimental data and with studies using MNDO and older methods, with the conclusion that both AM1 and PM3 provide satisfactory models of the behaviour of these species.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00125316
Permalink