Data to accompany the article "Anion···π interactions and metastability: structural transformations in a silver-pyrazine network"

364 29 6768 2 17435 document 6768 Compound-1.tar.gz application/x-gzip 2a981f3637a03cb93f9b6246d30f6f4a MD5 1548595 2017-08-08 15:19:43 https://researchdata.bath.ac.uk/364/1/Compound-1.tar.gz 364 1 1 application/x-gzip other en public cc_by

Compound-1.tar.gz

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Compound-2.tar.gz

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Compound-3.tar.gz

data 6771 2 17445 document 6771 README.rtf text/rtf 5375df8ec3b73648d91d6cf459105f8b MD5 288017 2017-08-08 15:24:12 https://researchdata.bath.ac.uk/364/4/README.rtf 364 4 4 text/rtf other en public cc_by

README.rtf

documentation archive 4450 disk0/00/00/03/64 2017-08-08 15:56:27 2024-07-18 12:31:39 2017-08-08 15:56:27 data_collection show Skelton Jonathan J.M.Skelton@bath.ac.uk 0000-0002-0395-1202 University of Bath TRUE ProjectLeader Gee William 0000-0002-6520-6216 University of Bath ProjectMember Robertson Karen K.Robertson@bath.ac.uk 0000-0002-0719-5854 University of Bath Data to accompany the article "Anion···π interactions and metastability: structural transformations in a silver-pyrazine network" dept_chem Metal-Organic Frameworks, Anion-Pi Interactions, Metastability, Single-Crystal-To-Single-Crystal Phase Transformations, Computational Modelling This dataset contains data from the computational modelling studies performed in the above article, viz. the optimised structures of the three compounds examined and their calculated dielectric properties. 2017 University of Bath public RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/K004956/1 Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials Partnership for Advanced Computing in Europe https://doi.org/10.13039/501100001943 13DECI0317/IsoSwitch IsoSwitch https://doi.org/10.1002/ejic.201700505 en 1 10.15125/BATH-00364 https://doi.org/10.1002/ejic.201700505 pub open