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huanghl2010

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[求助] 求多环芳烃中的芴,苊,屈动力学直径 已有1人参与

求多环芳烃中的芴,苊,屈的分子大小,即动力学直径大小
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iamthinking

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【答案】应助回帖

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感谢参与,应助指数 +1
huanghl2010: 金币+5, ★有帮助 2014-05-16 11:22:37
月只蓝: 金币+3, 感谢指导! 2014-05-16 20:07:42
用hyperchem搭建骨架随便优化一下

䓛的线度在5.6到11.5之间,
芴的线度在4.5到9.0之间,
苊在5.4到6.8之间。
毕竟不是圆状分子,直径一说不太客观,上述两个界值是在分子两个方向测得的最大雨最小度量,怎样取值取决于你要研究的系统及你的考量。
求多环芳烃中的芴,苊,屈动力学直径
䓛.jpg


求多环芳烃中的芴,苊,屈动力学直径-1
芴.jpg


求多环芳烃中的芴,苊,屈动力学直径-2
苊.jpg

走马行酒醴,驱车布鱼肉~——咦,我的酒呢?
2楼2014-05-15 23:31:09
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