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Goodliness

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Question1: The HOMO-LUMO energy gap of the lowest-energy structure is how to calculate, and is spin-up or spin-down energy gap?

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4Â¥2014-07-03 21:55:38
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Goodliness(½ð±Ò+1): лл²ÎÓë
Goodliness: ½ð±Ò+2 2014-07-04 09:41:10
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7Â¥2014-07-03 21:59:15
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9Â¥2014-07-03 22:03:39
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Goodliness(½ð±Ò+1): лл²ÎÓë
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