A quantitative topological descriptor for linear co-oligomer fusion

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.

Original language	English
Pages (from-to)	7235-7238
Number of pages	4
Journal	Chemical Communications
Volume	54
Issue number	52
DOIs	https://doi.org/10.1039/c8cc03156h
Publication status	Published - 1 Jan 2018
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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10.1039/c8cc03156h

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title = "A quantitative topological descriptor for linear co-oligomer fusion",

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.",

author = "Koskin, {Igor P.} and Mostovich, {Evgeny A.} and Enrico Benassi and Kazantsev, {Maxim S.}",

year = "2018",

month = jan,

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doi = "10.1039/c8cc03156h",

language = "English",

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pages = "7235--7238",

journal = "Chemical Communications",

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publisher = "Royal Society of Chemistry",

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AU - Mostovich, Evgeny A.

AU - Benassi, Enrico

AU - Kazantsev, Maxim S.

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N2 - 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.

AB - 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.

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JF - Chemical Communications

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