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A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method

✍ Scribed by Cui, Qiang; Elstner, Marcus; Kaxiras, Efthimios; Frauenheim, Thomas; Karplus, Martin

Book ID: 118051721
Publisher: American Chemical Society
Year: 2001
Tongue: English
Weight: 361 KB
Volume: 105
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp0029109

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