Dependence of the reactivity of five-membered heterocycles on their structure. 3. Proton affinity of azoles and oxazoles View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1989-04

AUTHORS

V. G. Andrianov, M. A. Shokhen, A. V. Eremeev

ABSTRACT

The proton affinity (PA) of a number of azoles and oxazoles was calculated by MNDO and STO-3G ab initio methods. In spite of the fact that these methods predict poorly the absolute values of the PA, a good correlation between the PA values calculated by STO-3G and the experimental values of PA as well as pKa values exists. Correlation of the experimental values with MNDO results are much worse. More... »

PAGES

423-425

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00480757

DOI

http://dx.doi.org/10.1007/bf00480757

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1032786511


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