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碳纳米管结构模拟

于 2022-08-08 发布 文件大小:2.15 MB
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应用背景原创的他纳米管结构模拟程序,精确定位每个碳原子的坐标,可以在此基础上开展物质在碳纳米管中的行为规律研究,采用VC开发,可以跨平台改造。关键技术利用实验分析得到的数据,对单壁、多壁碳纳米管进行科学重构,不仅仅是结构而且相关的物理化学参数(如键长)等都是精确定义的,可以作为科学计算模拟的结构输入。

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