When is the Fukui Function Not Normalized? The Danger of Inconsistent Energy Interpolation Models in Density Functional Theory

Published 2016 View Full Article

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Title
When is the Fukui Function Not Normalized? The Danger of Inconsistent Energy Interpolation Models in Density Functional Theory
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 12, Pages 5777-5787
Publisher
American Chemical Society (ACS)
Online
2016-11-05
DOI
10.1021/acs.jctc.6b00494

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