【文件属性】：
文件名称：Theoretical Studies on the Intermolecular Interactions of Aza-calix[2]arene[2]-triazines with RDX (2011年)
文件大小：525KB
文件格式：PDF
更新时间：2021-05-18 09:31:46
工程技术 论文
Six fully optimized structures of the aza-calix[2]arene[2]-triazines/RDX supramolecular complexes have been obtained at the DFT-B3LYP/6-311++G** level, and the corresponding intermoleeular interactions have been investigated using the B3LYP, mPWPW91 and M
网友评论
相关文章
- Theoretical Investigations intothe Intermolecular Hydrogen-bonding Interactionsbetween Azacyclopentane-2-one and N-Methylol Ethanone (2014年)
- Intermolecular Interactions. Physical Picture, Computational Methods and Model Potentials by I. G. Kaplan
- Designing Interactions Chapter 2
- Theoretical Machine Learning solution 2