On the Nature of Improper Hydrogen Bonding in RCH2F and RCHF2 Motifs (dataset)
收藏DataCite Commons2025-12-11 更新2026-05-07 收录
下载链接：
https://research-portal.st-andrews.ac.uk/en/datasets/2b2156d9-df59-466a-8863-14dd497e3a11
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资源简介：
Computational data (inputs and outputs) underpinning the quantum-chemical calculations reported in the corresponding paper. The data comprise inputs and outputs for the geometry optimisations and conformational searches (using commercial and free programs such as Gaussian and Crest).
提供机构：
University of St Andrews
创建时间：
2025-10-16
