期刊
CRYSTENGCOMM
卷 18, 期 3, 页码 394-397出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5ce02223a
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资金
- EPSRC
- Cambridge Crystallographic Data Centre
- Engineering and Physical Sciences Research Council [1615054] Funding Source: researchfish
The H-bonding outcomes in crystal structures of simple molecules, where two potential H-bonds can be formed, have been used to calculate relative H-bond probabilities for 59 combinations of H-bond donors and H-bond acceptors. H-bond probabilities are shown to correlate well with the difference in solution phase free energy between the two competing H-bonds.
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