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2Â¥: Originally posted by ÊéÍòÀï at 2013-02-27 11:16:38
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Transition State Found!
Energy of reactant:                -149606.82174 eV                           
Energy of product:                 -149607.13425 eV                           
Energy of transition state:        -149602.69338 eV                           
Location of transition state:            0.39596
Barrier from reactant:                   4.12836 eV                           
Barrier from product:                    4.44088 eV                           
Energy of reaction:                     -0.31251 eV
3Â¥2013-02-27 12:12:03
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gexincumt: ½ð±Ò+10, ¡ïÓаïÖú 2013-02-27 15:48:04
liliangfang: ½ð±Ò+2, ллָ½Ì 2013-03-02 12:10:09
ÒýÓûØÌû:
3Â¥: Originally posted by gexincumt at 2013-02-27 12:12:03
ÎҵļÆËã½á¹û£º
Transition State Found!
Energy of reactant:                -149606.82174 eV                           
Energy of product:                 -149607.13425 eV                       ...

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