Extended Hartree–Fock (EHF) theory of chemical reactions VI: hybrid DFT and post-Hartree–Fock approaches for concerted and non-concerted transition structures of the Diels–Alder reaction

Author: Isobe H.   Takano Y.   Kitagawa Y.   Kawakami T.   Yamanaka S.   Yamaguchi K.   Houk K. N.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.100, Iss.6, 2002-03, pp. : 717-727

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Abstract