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February 1, 1971The Journal of Chemical Physics

Electronic Structures of Linear Polymers. II. Formulation and CNDO/2 Calculation for Polyethylene and Poly(tetrafluoroethylene)

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Keiji MorokumaKeiji MorokumaUniversité Paris-Sud

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Keiji Morokuma (1971) studied this question.

synapsesocial.com/papers/6a7d357145db7d096f6e49b5https://doi.org/10.1063/1.1675026
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  1. 1Electronic Structures of Polymers Using the Tight-Binding Approximation. I. Polyethylene by the Extended Hückel Method1970 · 88 citations