Section 5 DFT ES
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wB97XD/DGTZVP TD-DFT calculation log files from wB97XD/DGTZVP geometries for 6-15E and 6-15C. Two log files each- one calculating only singlets, the other singlets and triplets.
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2021-06-27
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wB97XD/DGTZVP TD-DFT calculation log files from wB97XD/DGTZVP geometries for 6-15E and 6-15C. Two log files each- one calculating only singlets, the other singlets and triplets.