Reactions of N and O containing species on a C(100):H 2x1 reconstructed diamond surface
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下载链接：
http://data.bris.ac.uk/data/dataset/2ddiq4srpok6o2aj83xl58jggx/
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资源简介：
Cartesian coordinates and calculated energies for all species involved in the QM calculations of Figures 2, 6 and 8, and a sample structure for the full QM/MM system in Tinker MM format.
提供机构：
University of Bristol
创建时间：
2017-02-15
