Thermolysis biradical mechanisms in endoperoxides: A challenge for density functional theory?

Martial Boggio-Pasqua 1 Jean-Louis Heully 1
1 PTC - Photochimie théorique et computationnelle (LCPQ)
LCPQ - Laboratoire de Chimie et Physique Quantiques
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https://hal.archives-ouvertes.fr/hal-01362058
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Submitted on : Thursday, September 8, 2016 - 10:04:38 AM
Last modification on : Thursday, October 31, 2019 - 10:16:05 AM

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Martial Boggio-Pasqua, Jean-Louis Heully. Thermolysis biradical mechanisms in endoperoxides: A challenge for density functional theory?. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2016, 135, pp.9. ⟨10.1007/s00214-015-1766-8⟩. ⟨hal-01362058⟩

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