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RECORD NUMBER: 2 OF 4

OLS Field Name OLS Field Data
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
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Status
NTIS  PB88-211719 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 09/04/1988
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.