Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory

Published 2012 View Full Article

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Title
Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 8, Issue 6, Pages 1902-1911
Publisher
American Chemical Society (ACS)
Online
2012-05-04
DOI
10.1021/ct300002t

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