The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging
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Title
The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging
Authors
Keywords
Quantum chemical topology (QCT), Interacting quantum atoms (IQA), Quantum theory of atoms in molecules (QTAIM), Kriging, Machine learning, Amino acids, Force field
Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 135, Issue 8, Pages -
Publisher
Springer Nature
Online
2016-07-27
DOI
10.1007/s00214-016-1951-4
References
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