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新虫 (小有名气)

[求助] roaming dynamic是什么意思

最近看文献 ,有这样的词汇roaming dynamic,但是不知道什么意思。关于这个理论有人知道是什么意思吗?
以下的说明供参考,A novel theoretical framework for predicting the branching between roaming and bond fission channels in molecular dissociations is described and applied to the decomposition of acetaldehyde。

During this roaming, the radicals may sample orientations where there is a barrierless path leading to the abstraction of a radical from one radical to the other.
Most commonly, this abstraction involves the transfer of an H atom.

Our own contribution to the treatment of roaming dynamics for ion-molecule reactions considered the multiple channels available from the [C2H2 · · ·CH4
+] ion molecule complex.4
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jinzheln

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【答案】应助回帖

感谢参与,应助指数 +1
jiaoyixiong(金币+3): 鼓励交流 2012-02-20 19:19:25
是动态漫游的意思
2楼2012-02-20 01:17:10
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随心意

新虫 (小有名气)

引用回帖:
: Originally posted by jinzheln at 2012-02-20 01:17:10:
是动态漫游的意思

能具体解释一下嘛?谢谢。和通常的过渡态有什么区别呢。比如以单纯的甲醛的分解为例,如果是经由过渡态和经由roaming dynamic 有什么区别呢。可以用什么软件对这两种机制进行模拟?
3楼2012-02-20 18:09:00
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