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L(N-2)].
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The usual convention for describing the computation method is used: method for evaluating β//scheme for optimizing the geometry.
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42
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2942663323
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note
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One can divide the EC correlation effects on the NLO properties into two components. On the one hand, we have the direct EC impact, i.e., the impact of EC on the property calculations. On the other hand, we have the indirect EC impact, originating in the modifcation of the optimal geometry.
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48
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2942697650
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note
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From MP2/6-31G(d)//MP2/6-31G(d) calculations performed on the TC conformers of PP.
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