Abbott, Helen and Hey, John and Britton, Melanie and Johnston, Roy L. (2020) Data supporting "Effects of hydration on the conformational behaviour of flexible molecules with two charge centres".
Dataset Details
| Data creator(s): |
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| Research Data Type: | Dataset | |||||||||||||||
| DOI: | https://doi.org/10.25500/edata.bham.00000493 | |||||||||||||||
| Publisher: | University of Birmingham | |||||||||||||||
| Funder: | Engineering and Physical Sciences Research Council | |||||||||||||||
| Keywords: | Alkyl-diammonium di-cations, alkyl-dicarboxylate di-anions, basin-hopping global optimisation, critical hydration number, low energy structures, global minimum, Monte Carlo | |||||||||||||||
| Managing organisational unit: | Colleges (2008 onwards) > College of Engineering & Physical Sciences | |||||||||||||||
| UoB School, Department or Institute: | School of Chemistry | |||||||||||||||
| Date: | June 2020 |
orcid.org/0000-0002-7631-1089
Available Files
Data
DC_m.zip |
DA_m.zip |
Putative_GMs.txt |
Related Resources
Effects of hydr ... charge centres |
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