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- W2083094411 abstract "Abstract Empirical (BP-type) as well as semi-empirical MO-LCAO (EHT and MINDO/2-type) calculations fail to predict correctly the conformational behaviour of ethylbenzene. Based on an analysis of these calculations, the neglect of the anisotropy of electron repulsion is suggested as a possible reason for this failure." @default.
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- W2083094411 date "1972-06-01" @default.
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- W2083094411 title "Conformational structure of ethylbenzene and its correlation with semi-empirical mo-lcao calculations" @default.
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- W2083094411 doi "https://doi.org/10.1016/0022-2860(72)87045-5" @default.
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