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liuyuxiu931
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2Â¥2014-05-27 11:31:47
ǹÏÂÓλê
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3Â¥2014-05-27 12:04:39
fatpig8832
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4Â¥2014-05-27 16:28:57
astringent
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youyno: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, thank you 2014-05-27 17:39:31
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youyno: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, thank you 2014-05-27 17:39:31
|
1st: read geometry from .chk file is the best choice, sometimes, the single point energy calculated based on the geometry of last optimized step is quite different from the 1st one. |
5Â¥2014-05-27 16:42:46
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6Â¥2014-05-27 20:29:43
youyno
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7Â¥2014-05-28 12:29:00









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