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[会议论文] 作者:Qian Yao,Zerong Li,Xiangyuan Li,
来源:中国化学会第一届全国燃烧化学学术会议 年份:2015
The potential energy surface for the reaction of C2H3+O2 has been studied using MO6-2X density functional theory and the single-point energies on the stationary...
[会议论文] 作者:Biyao Wang,Junling Zhang,Zerong Li,Xiang-Yuan Li,
来源:中国化学会第28届学术年会 年份:2012
This paper presented a new method called Reaction Class Isodesmic Reaction Method (RCIRM) for accurately calculating thermokinetic data of a large number of reactions in a reaction class.This method i...
[会议论文] 作者:Mingli Yang,Tao Gao,Dingguo Xu,Zerong Li,Kefeng Wang,Xingdong Zhang,
来源:第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con 年份:2014
Biomaterials are characterized by their bioactivity and biocompatibility.In order to develop biomaterials with desired performances, one must understand their s...
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