A quantitative topological descriptor for linear co-oligomer fusion†,Chemical Communications

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A quantitative topological descriptor for linear co-oligomer fusion†
Chemical Communications ( IF 4.9 ) Pub Date : 2018-06-05 00:00:00 , DOI: 10.1039/c8cc03156h
Igor P. Koskin _{1,

2,

2,

3,

4} , Evgeny A. Mostovich _{1,

2,

2,

3,

4} , Enrico Benassi _{2,

3,

4,

5,

6} , Maxim S. Kazantsev _{1,

2,

2,

3,

4}

Affiliation

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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