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- W2099686836 abstract "We have developed a many-body version of Woodward–Hoffmann theory which is capable of rapid computation of π-electronic surfaces. This theory, called the Hückel–Hubbard theory, employs Hückel parameters as reaction coordinates and the Hubbard parameter for electron repulsion. We apply it to the cis-trans isomerization of ethylene and to several pericyclic reactions." @default.
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- W2099686836 date "1976-05-01" @default.
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- W2099686836 title "Spin-free quantum chemistry. XVII. The Hückel-Hubbard theory and the Woodward-Hoffmann rules" @default.
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- W2099686836 doi "https://doi.org/10.1002/qua.560100312" @default.
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