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Issue 52, 2018
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A quantitative topological descriptor for linear co-oligomer fusion

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Abstract

A purely topological descriptor for the quantitative classification of fully or partially fused linear quasi-one dimensional centre-symmetric molecules is proposed. The index also makes it possible to quantitatively correlate optoelectronic properties with the molecular topology without involving an explicit calculation of the molecular electronic structure.

Graphical abstract: A quantitative topological descriptor for linear co-oligomer fusion

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Publication details

The article was received on 19 Apr 2018, accepted on 05 Jun 2018 and first published on 05 Jun 2018


Article type: Communication
DOI: 10.1039/C8CC03156H
Citation: Chem. Commun., 2018,54, 7235-7238
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    A quantitative topological descriptor for linear co-oligomer fusion

    I. P. Koskin, E. A. Mostovich, E. Benassi and M. S. Kazantsev, Chem. Commun., 2018, 54, 7235
    DOI: 10.1039/C8CC03156H

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