The Diels-Alder reactivity of a number of o-benzoquinones has been investigated using localization theory. The behaviour of o-benzoquinones as philodienes can be satisfactorily explained in terms of paralocalization energy. The bond localization concept is useful in explaining the dienophilic character associated with the double bonds in o-benzoquinones
The synthesis and chemical reactivity of certain hydroxy- and amino-quinones are studied in this wor...
518-521A semiempirical (AM1) computational study on the modelling of a number of model heteroacyl-1...
The mechanism of the intramolecular Diels–Alder (IMDA) reaction of benzoquinone 1, in the absence an...
According to the simple LCAO MO method, were computed the localization energies of several quinones ...
By means of the joint use of electron localization function (ELF) and Thom's catastrophe theory, a t...
Ab initio and DFT quantum chemical calculations have been applied to a study of the Diels-Alder reac...
In this work, some computational theoretical studies on the reactivity of para-benzoquinones and the...
A systematic investigation on the cycloreversion reaction of the cycloadduct formed between substitu...
In this work it was done a comparative study on the reactivity of a variety of dienophiles including...
Pi-Face selectivity in Diels–Alder reactions between specially crafted bicyclo[2.2.2]octane-fused be...
The mechanism of the intramolecular Diels-Alder (IMDA) reaction of benzoquinone 1, in the absence an...
The electronic structures of the three oxidation states of the “noninnocent ” ligand 3,6-di-tert-but...
A systematic investigation on the cycloreversion reaction of the cycloadduct formed between substitu...
The polar Diels-Alder (DA) reactions of 2-acetyl-1,4-benzoquinone (acBQ) with methyl substituted 1,3...
<p>Molecular orbitals of the five quinoline derivatives obtained at the TD-B3LYP/6-31+G(d,p) theory ...
The synthesis and chemical reactivity of certain hydroxy- and amino-quinones are studied in this wor...
518-521A semiempirical (AM1) computational study on the modelling of a number of model heteroacyl-1...
The mechanism of the intramolecular Diels–Alder (IMDA) reaction of benzoquinone 1, in the absence an...
According to the simple LCAO MO method, were computed the localization energies of several quinones ...
By means of the joint use of electron localization function (ELF) and Thom's catastrophe theory, a t...
Ab initio and DFT quantum chemical calculations have been applied to a study of the Diels-Alder reac...
In this work, some computational theoretical studies on the reactivity of para-benzoquinones and the...
A systematic investigation on the cycloreversion reaction of the cycloadduct formed between substitu...
In this work it was done a comparative study on the reactivity of a variety of dienophiles including...
Pi-Face selectivity in Diels–Alder reactions between specially crafted bicyclo[2.2.2]octane-fused be...
The mechanism of the intramolecular Diels-Alder (IMDA) reaction of benzoquinone 1, in the absence an...
The electronic structures of the three oxidation states of the “noninnocent ” ligand 3,6-di-tert-but...
A systematic investigation on the cycloreversion reaction of the cycloadduct formed between substitu...
The polar Diels-Alder (DA) reactions of 2-acetyl-1,4-benzoquinone (acBQ) with methyl substituted 1,3...
<p>Molecular orbitals of the five quinoline derivatives obtained at the TD-B3LYP/6-31+G(d,p) theory ...
The synthesis and chemical reactivity of certain hydroxy- and amino-quinones are studied in this wor...
518-521A semiempirical (AM1) computational study on the modelling of a number of model heteroacyl-1...
The mechanism of the intramolecular Diels–Alder (IMDA) reaction of benzoquinone 1, in the absence an...