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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
Contributor : Nicolas Elefantis <>
Submitted on : Thursday, September 8, 2016 - 10:04:38 AM
Last modification on : Saturday, February 29, 2020 - 1:20:13 AM

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IRSAMC | UNIV-TLSE3 | LCPQ | LCPQ_PTC | CNRS | INSA-TOULOUSE | INC-CNRS

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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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