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85033316315
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note
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In approach II, ANO-L sets, to be defined, were used, whereas in approach I the primitive sets underlying ANO-L were used.
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53
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85033301557
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note
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Based on wave functions formed at the B3LYP/TZD1P level of accuracy, the numbers are 0.38 and 0.51 for CrOH and CrF, respectively.
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