✦ LIBER ✦

Quantum-chemical calculations of the polarographic half-wave potentials of conjugated hydrocarbons

✍ Scribed by J. Koutecký

Publisher: Elsevier Science
Year: 1968
Tongue: English
Weight: 281 KB
Volume: 13
Category: Article
ISSN: 0013-4686
DOI: 10.1016/0013-4686(68)80036-2

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✦ Synopsis

The results of calculations of the cathodic and anodic polarographic half-wave potentials using the semi-empirical Pariser-Parr-Pople (SCSCF) approach are reported and the posstbilities of how further to improve these calculations are discussed.

RBsun&-Les resultats de ca1cu1.s de potentiels de demi-onde cathodiques et anodiques par la m&hode semi-empirique de Pariser-Parr-Pople (SC-SCF) sont presentes. L.es possibilities d'amelioration de la methode sont ttudies.

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