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

Name: Data to accompany the article "Anion···π interactions and metastability: structural transformations in a silver-pyrazine network"
Published: 2017

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.

Keywords:

Metal-Organic Frameworks Anion-Pi Interactions Metastability Single-Crystal-To-Single-Crystal Phase Transformations Computational Modelling

Cite this dataset as:
Skelton, J., 2017. Data to accompany the article "Anion···π interactions and metastability: structural transformations in a silver-pyrazine network". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00364.

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Data

Compound-1.tar.gz
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Compound-2.tar.gz
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Compound-3.tar.gz
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Creators

Jonathan Skelton
University of Bath

0000-0002-0395-1202

Contributors

William Gee
Project Leader
University of Bath

0000-0002-6520-6216

Karen Robertson
Project Member
University of Bath

0000-0002-0719-5854

University of Bath
Rights Holder

Documentation

Methodology link:

Gee, W. J., Robertson, K., and Skelton, J. M., 2017. Anion···π Interactions and Metastability: Structural Transformations in a Silver–Pyrazine Network. European Journal of Inorganic Chemistry, 2017(19), 2628-2636. Available from: https://doi.org/10.1002/ejic.201700505.

Documentation Files

README.rtf
text/rtf (288kB)
Creative Commons: Attribution 4.0

Funders

Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266

Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials
EP/K004956/1

Partnership for Advanced Computing in Europe
https://doi.org/10.13039/501100001943

IsoSwitch
13DECI0317/IsoSwitch

Publication details

Publication date: 2017
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-00364

URL for this record: https://researchdata.bath.ac.uk/id/eprint/364

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Jonathan Skelton

Departments:

Faculty of Science
Chemistry