| Main Title |
Predicting Chemical Parameters with Prolog. |
| Author |
Karickhoff, S. W. ;
Carreira, L. A. ;
Vellino, A. N. ;
Nute, D. E. ;
McDaniel, V. K. ;
|
| CORP Author |
Georgia Univ., Athens.;Environmental Research Lab., Athens, GA. |
| Year Published |
1988 |
| Report Number |
EPA-R-812806; EPA/600/D-88/089; |
| Stock Number |
PB88-211719 |
| Additional Subjects |
Molecular structure ;
Chemical reactivity ;
SPARC program ;
Sparc Performs Automated Reasoning in Chemistry ;
Computer applications
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
PB88-211719 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
18p |
| Abstract |
Work is described that seeks to develop novel methods for the computer estimation of fundamental reactivity parameters strictly from molecular structure. Although the prototype system SPARC (Sparc Performs Automated Reasoning in Chemistry) deals only with the prediction of sunlight absorption spectra, the techniques escribed can be extended to other reactivity parameters such as hydrolysis rate constants. |
