Para-localization energy (free-electron molecular-orbital) and polarographic half-wave potential of some polynuclear hydrocarbons

Basu, Sadhan ; Bhattacharya, Rama (1957) Para-localization energy (free-electron molecular-orbital) and polarographic half-wave potential of some polynuclear hydrocarbons Nature, 180 . p. 143. ISSN 0028-0836

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Official URL: http://www.nature.com/nature/journal/v180/n4577/ab...

Related URL: http://dx.doi.org/10.1038/180143a0

Abstract

In a recent communication, Fernandez-Alonso and Domingo have reported some numerical disagreements in their para-localization energy calculation with those of Basu. In Fernandez-Alonso and Domingo's calculation the box dimension for ethylene was taken as equal to one bond-length (as well as half bond-length) more at each end. In Basu's calculation the box dimension was taken to be equal to the length of C-C double bond.

Item Type:Article
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Deposited On:18 Dec 2010 05:34
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