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Automated Repulsive Parametrization for the DFTB Method

✍ Scribed by Bodrog, Zoltán; Aradi, Bálint; Frauenheim, Thomas

Book ID: 121397659
Publisher: American Chemical Society
Year: 2011
Tongue: English
Weight: 864 KB
Volume: 7
Category: Article
ISSN: 1549-9618
DOI: 10.1021/ct200327s

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