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xumeng_1025

新虫 (小有名气)

[求助] 求助Si和SiO的Lennard—Jones参数 已有1人参与

求助Si和SiO的Lennard—Jones参数,碰撞直径Sigma和特征能量ε(K)
本人已经查阅了部分文献如Svehia1962发表的数据,但是未找到Si和SiO,求指点
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xumeng_1025

新虫 (小有名气)

引用回帖:
2楼: Originally posted by tianlangxingaa at 2018-01-25 14:28:26
check the supporting information of this ref.
http://pubs.rsc.org/-/content/articlelanding/2014/cp/c4cp03077j/unauth#!divAbstract

cheers.

Thank you for your reply. But I can't find the parameters in the ref.

Can you give me some more information?
3楼2018-01-25 15:41:56
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tianlangxingaa

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★
感谢参与,应助指数 +1
月只蓝: 金币+2, 感谢帮助! 2018-02-02 09:49:41
check the supporting information of this ref.
http://pubs.rsc.org/-/content/ar ... unauth#!divAbstract

cheers.
2楼2018-01-25 14:28:26
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tianlangxingaa

铁杆木虫 (著名写手)

引用回帖:
3楼: Originally posted by xumeng_1025 at 2018-01-25 15:41:56
Thank you for your reply. But I can't find the parameters in the ref.

Can you give me some more information?...

The supporting information file contains all the force field parameters for Si and Si-O groups.
4楼2018-02-02 06:00:43
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