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Frontier orbitals for Diels-Alder reactions with inverse electron demand

Coefficients of the frontier orbitals of


??? methoxybutadiene and acrolein

Large-large/small-small pairing of frontier orbitals compared with large-small/large-small


The Energies and Coefficients of the Frontier Orbitals of Alkenes and Dienes
Alkene-Stabilising
Groups
The filled p molecular orbitals and the LUMO of styrene
The p molecular orbitals of acrolein
The energies of the p orbitals of acrolein 2.1 as a weighted sum of the p orbitals of an oxyanion-substituted
allyl cation 2.2 and butadiene 2.3
Crude estimates of the
coefficients of the p
orbitals of a Z-
substituted alkene as an
arbitrarily unweighted
average of the
coefficients of an allyl
cation 2.2 and butadiene
2.3
Energies of
the p orbitals
of an X-
substituted
alkene
Crude estimates of the
coefficients of the p orbitals of
an X-substituted alkene as an
arbitrarily unweighted
average of the coefficients of
an allyl anion 2.5 and an
alkene
The p orbitals of a carbocation
conjugated to a Z-substituent
[4+2]

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