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3 results in Keywords: Diradical Character

Theoretical and Computational Chemistry

Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

Ekadashi Pradhan, Jordan N. Bentley, Christopher B. Caputo, Tao Zeng

Version 1 posted 23 April 2020

563

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Theoretical and Computational Chemistry

Prediction of the ground state for indenofluorene-type systems with Clar's π-sextet model

Gibu George, Anton Stasyuk, Miquel Solà i Puig

Version 2 posted 05 July 2024

220

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Theoretical and Computational Chemistry

Accelerated Diradical Character Assessment in Large Datasets of Polybenzenoid Hydrocarbons Using xTB Fractional Occupation

Alexandra Wahab, Renana Gershoni-Poranne

Version 2 posted 04 November 2024

182

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