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leonlu

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] MOPAC ÔËÐкó´íÎó

MOPAC ÔËÐкó³öÏÖÈçÏÂÌáʾ£¬Çë½ÌMOPACÔõôʹÓ㬼òµ¥¾Ù¸öÀý×Ó¡£
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------------ Mopac Interface ------------
Model: Chem3D XML ÔÚ Untitled Document-1 ÖÐ

Mopac Job: AUX  PM3 CHARGE=0 MULLIK SHIFT=80
error: An error has occurred during the Mopac calculation. Output file is not created.


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[ Last edited by leonlu on 2013-4-14 at 21:54 ]
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