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20544443796
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note
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-1]=1298. 08√K[mdyn/(uÅ)].
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40
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20544465945
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note
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3 part.
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41
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0141704726
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Gaussian, Inc., Pittsburgh, PA
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44
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20544451882
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note
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To be precise, we note that the dihedral angles s f, cd are fixed in the calculations referred to as "full geometry optimization."
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48
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0041786766
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