Data di Pubblicazione:
1992
Citazione:
Reaction prediction: the suggestions of the Beppe program / G. Sello. - In: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES. - ISSN 0095-2338. - 32:6(1992), pp. 713-717. [10.1021/ci00010a019]
Abstract:
The Beppe project represents a modeling experiment that aims at contributing a better management of the prediction of reaction products. From this perspective, a completely theoretical system has been initially studied, independent of the result control given by experimental data. The connected program realized until now can evaluate the different aspects of the molecular reactivity; consequently, it can generate some of the reaction products starting from a molecular ensemble and give a set of numerical rules to estimate both the result reliability and the possibility to get different results using different experimental procedures.
Tipologia IRIS:
01 - Articolo su periodico
Elenco autori:
G. Sello
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