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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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34Â¥2014-07-04 09:11:31
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2Â¥2014-07-03 21:49:00
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Goodliness(½ð±Ò+1): лл²ÎÓë
Goodliness: ½ð±Ò+10 2014-07-04 09:40:54
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Goodliness(½ð±Ò+1): лл²ÎÓë
Goodliness: ½ð±Ò+2 2014-07-04 09:41:10
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