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5Â¥2013-07-18 14:47:41
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Joannaouc

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liliangfang: ½ð±Ò+1, лл½»Á÷ 2013-07-22 17:13:54
It's hard to understand the difference among the three options you gave in the orginal post.
My suggestion is to adopt the previouly optimized H2O2@substrate model, following by adding extra H to possible adsorption sites. Please be advised that the new H adsorption site (under co-adsorption) might be different with sole H adsorption site.
8Â¥2013-07-19 10:31:55
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huxiao.gl

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liliangfang: ½ð±Ò+1, лл½»Á÷ 2013-07-22 17:14:00
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good luck
9Â¥2013-07-19 18:04:31
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fxh0402

Ìú³æ (СÓÐÃûÆø)

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2¥: Originally posted by Ԭͥ at 2013-07-18 13:57:13
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