Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C_4n rings

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Authors: David, Grégoire; David, Gregoire; Ben Amor, Nadia; Zeng, Tao; Suaud, Nicolas; Trinquier, Georges; Malrieu, Jean-Paul

Journal title: EISSN: 1089-7690

Journal number: 2

Journal publisher: American Institute of Physics

Published year: 2022

DOI identifier: 10.1063/5.0090129

ISSN: 1089-7690