Can chemometrics be used to guide the selection of suitable DFT functionals?

Published 2015 View Full Article

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Title
Can chemometrics be used to guide the selection of suitable DFT functionals?
Authors
Keywords
DFT functionals, Machine learning, Chemometrics, Classification
Journal
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
Volume 142, Issue -, Pages 87-94
Publisher
Elsevier BV
Online
2015-01-30
DOI
10.1016/j.chemolab.2015.01.013

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