Natural orbital functional theory and reactivity studies of diradical rearrangements: ethylene torsion as a case

Xabier Lopez1, Mario Piris, Jon M Matxain

  • 1Kimika Fakultatea, Euskal Herriko Unibertsitatea and Donostia International Physics Center (DIPC), Donostia, Euskadi, Spain. xabier.lopez@ehu.es

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