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.
|Titolo:||Reaction prediction: the suggestions of the Beppe program|
SELLO, GUIDO GIOVANNI (Primo)
|Settore Scientifico Disciplinare:||Settore CHIM/06 - Chimica Organica|
|Data di pubblicazione:||1992|
|Digital Object Identifier (DOI):||10.1021/ci00010a019|
|Appare nelle tipologie:||01 - Articolo su periodico|