Theoretical prediction of a crystal structure.
收藏PubMed Central1996-03-05 更新2026-05-02 收录
下载链接：
https://pmc.ncbi.nlm.nih.gov/articles/PMC39851/
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资源简介：
The diffusion equation method of global minimization is applied to compute the crystal structure of S6, with no a priori knowledge about the system. The experimental lattice parameters and positions and orientations of the molecules in the unit cell are predicted correctly.
提供机构：
National Academy of Sciences
创建时间：
1996-03-05
