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more..
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13
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1642334398
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note
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The vertical EDE is calculated by taking the difference of the dianion energy and the monoanion at the dianion geometry.
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14
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1642301943
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note
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The adiabatic EDE is calculated by taking the difference of the dianion energy and the monoanion at their optimal geometries.
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15
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0021411798
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