Data for: Generalizing energy decomposition analysis to response properties to inform structure-property relations

Published: 31 Dec 2018 | Version 1 | DOI: 10.17632/kt2cchkv98.1
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Description of this data

Molecular structures and data analysis for generalized energy decomposition analysis (gEDA) of static polarizability for thiophene

Experiment data files

This data is associated with the following publication:

Generalizing energy decomposition analysis to response properties to inform expedited predictive models

Published in: Computational and Theoretical Chemistry

Latest version

  • Version 1

    2018-12-31

    Published: 2018-12-31

    DOI: 10.17632/kt2cchkv98.1

    Cite this dataset

    Lambrecht, Daniel (2018), “Data for: Generalizing energy decomposition analysis to response properties to inform structure-property relations”, Mendeley Data, v1 http://dx.doi.org/10.17632/kt2cchkv98.1

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Quantum Chemistry

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