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June 1, 1978Journal of the American Chemical Society

Counterintuitive orbital mixing in semiempirical and ab initio molecular orbital calculations

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Authors

JAJ. H. AmmeterUniversity of ZurichHBHans Beat BuergiUniversity of BernJTJack C. ThibeaultCalifornia Institute of Technology

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Cite This Study

Ammeter et al. (1978) studied this question.

synapsesocial.com/papers/6a1a26cb5af33358ceb4f602https://doi.org/10.1021/ja00480a005
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