Wann - Calculations on hypho boranes
收藏DataCite Commons2022-10-14 更新2026-05-07 收录
下载链接：
https://pure.york.ac.uk/portal/en/datasets/e017c860-7278-4f23-99d7-cfb56d671fbb
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资源简介：
This dataset contains calculations associated with the following paper: "A computational analysis of the apparent nido vs. hypho conflict: are we dealing with six- or eight-vertex open-face diheteroboranes?" J. P. F. Nunes, J. Holub, D. W. H. Rankin, D. A. Wann and D. Hnyk, Dalton Trans., 2015, 44, 11819–11826. NBO calculations and geometry optimisations are included for a variety of different borane clusters.
提供机构：
University of York
创建时间：
2016-02-19
