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 | |
| Publication status | Published - 1 Jan 2018 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Catalysis
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Chemistry(all)
- Surfaces, Coatings and Films
- Metals and Alloys
- Materials Chemistry
Cite this
A quantitative topological descriptor for linear co-oligomer fusion. / Koskin, Igor P.; Mostovich, Evgeny A.; Benassi, Enrico; Kazantsev, Maxim S.
In: Chemical Communications, Vol. 54, No. 52, 01.01.2018, p. 7235-7238.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A quantitative topological descriptor for linear co-oligomer fusion
AU - Koskin, Igor P.
AU - Mostovich, Evgeny A.
AU - Benassi, Enrico
AU - Kazantsev, Maxim S.
PY - 2018/1/1
Y1 - 2018/1/1
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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UR - http://www.scopus.com/inward/citedby.url?scp=85049126581&partnerID=8YFLogxK
U2 - 10.1039/c8cc03156h
DO - 10.1039/c8cc03156h
M3 - Article
AN - SCOPUS:85049126581
VL - 54
SP - 7235
EP - 7238
JO - Chemical Communications
JF - Chemical Communications
SN - 1359-7345
IS - 52
ER -