Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to Hydrocarbons†

Published 2009 View Full Article

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Title
Automatized Parametrization of SCC-DFTB Repulsive Potentials: Application to Hydrocarbons†
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 113, Issue 43, Pages 11866-11881
Publisher
American Chemical Society (ACS)
Online
2009-09-25
DOI
10.1021/jp902973m

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