The 38 stable conformers of asp-Al(H2O)5+ have been firstly determined at the B3LYP/6-311++G** level.
3.在B3LYP/6-311++G**水平下首次获得了asp-Al(H2O)5+的38种稳定构象。
参考来源 - 天冬氨酸构象及其与Al~（3+）作用机制的理论研究·2,447,543篇论文数据，部分数据来源于NoteExpress
以上来源于: WordNet
The trans-conformers are more stable than the cis-conformers in the relative stabilities.
在相对稳定性方面，反式异构体比顺式异构体稳定。
In this paper, binding energy spectra and orbital momentum distributions of the four most stable conformers of Proline are investigated.
本文主要讨论了脯氨酸分子最稳定的四种构象的束缚能谱和轨道电子动量分布。
Theories of nature bond orbital(NBO)and atoms in molecules (AIM) were used to discuss bond nature and relative stabilities of such conformers.
利用自然键轨道理论（NBO）和分子中的原子理论（AIM）分析了这些异构体的成键特征、相对稳定性。
应用推荐