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Supporting information for "Neural network and ReaxFF comparison for Au properties, Int. J. Quantum Chem., 116(13), 979–987 (2016)."
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posted on 2018-06-12, 00:00
authored by
John Kitchin
John Kitchin
,
Jacob Boes
Jacob Boes
,
John Keith
,
Michell C. Groenenboom
This dataset contains the database files, ReaxFF files, and org files that describe the work in the manuscript, and how the figures were made from the data.
Funding
CBET-1506770
History
Date
2018-06-12
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Categories
Chemical thermodynamics and energetics
Keywords
density functional theory
atomistic potential
Chemical Thermodynamics and Energetics
Licence
CC BY 4.0
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