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liuzhengjun0427

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zhou2009(½ð±Ò+1): 2011-10-27 08:32:12
ÔÚÊä³öÎļþÀïËÑAlpha  occ. eigenvalues
Alpha  occ. eigenvalues×îºóÒ»¸öÖµ¼´ÎªHOMO
Alpha virt. eigenvaluesµÄµÚÒ»¸öÖµ¼´ÎªLUMO
2Â¥2011-10-26 21:37:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dhqdqk

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2Â¥: Originally posted by liuzhengjun0427 at 2011-10-26 21:37:44:
ÔÚÊä³öÎļþÀïËÑAlpha  occ. eigenvalues
Alpha  occ. eigenvalues×îºóÒ»¸öÖµ¼´ÎªHOMO
Alpha virt. eigenvaluesµÄµÚÒ»¸öÖµ¼´ÎªLUMO

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3Â¥2011-10-27 08:21:21
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Сºì¶¹(½ð±Ò+2): лл 2011-10-27 16:52:38
dhqdqk(½ð±Ò+5): ÀïͷûÓÐÏëÒªµÄ£»Ð»Ð»Äã¡£ 2011-10-28 16:55:06
ÕâÆª×ÛÊöÀïÓв»ÉÙ, ¿ÉÒÔ¿´¿´. (Chem. Mater., Vol. 16, No. 23, 2004)
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