A reactive bond orbital investigation of
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Hajime Hirao
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Article
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2008
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John Wiley and Sons
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English
⚖ 188 KB
## Abstract The reactive bond orbital (RBO) method (Hirao, Chem Phys Lett 2007, 443, 141) is extended and applied to the Diels‐Alder reaction between 1,3‐butadiene and ethylene, with the aim of understanding the nature of their interaction. The roles of distortion, electrostatic, exchange, polariza