基于密度泛函理论对冰毒分子不同构象拉曼光谱的研究
高楠
1
, 屠潜
2
, 隋成华
2,
3
Study on Different Conformation Raman Spectra of Methamphetamine Based on Density Functional Theory
GAO Nan
1
, TU Qian
2
, SUI Cheng-hua
2,
3
通过冰毒分子Ⅲ(a), Ⅶ(b), Ⅸ(c), Ⅹ(d)四种构象计算得到的拉曼特征峰分别与冰毒实验拉曼特征峰线性拟合结果