computational approach of quantum chemistry
...量子化学计算法 [gap=1646]e； Molecularly imprinted polymer； Molecular recognition； Molecular spectrometry； Computational approach of quantum chemistry ...
基于48个网页-相关网页
量子化学计算方法 Quantum Chemistry
·2,447,543篇论文数据，部分数据来源于NoteExpress
用量子化学从头计算法研究了HCN、HNC分子与H原子和电子加成生成的H_2CN自由基异构体的最低总能量构象和净电荷分布。
Using ab initio method, the minimum energy conformations and netcharge distribution have been studied for H_2CN radical isomers formed by addition ofa H atom (or an electron) to HCN (or HNC) molecule.
youdao
应用推荐
模块上移
模块下移
不移动