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dxcharlary

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[交流] 【求助】向大家咨询一下,第一性原理计算氢键的一些性质怎么算? 已有2人参与

如题,比如:要计算冰的吸收谱。建好模型之后,该如何计算呢?
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condensed

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小木虫(金币+0.5):给个红包,谢谢回帖交流
zzy870720z(金币+1):谢谢提示 2010-08-14 21:41:34
Z+1 METHOD,具体参考wien2k
2楼2010-08-14 21:12:20
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dxcharlary

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引用回帖:
Originally posted by condensed at 2010-08-14 21:12:20:
Z+1 METHOD,具体参考wien2k

能再详细一点吗?wien2k没用过
3楼2010-08-20 18:49:08
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