DFTB Parameters for the Periodic Table: Part 1, Electronic...

Journal of Chemical Theory and Computation 2013 / 09 Vol. 9; Iss. 9

DFTB Parameters for the Periodic Table: Part 1, Electronic Structure

Wahiduzzaman, Mohammad, Oliveira, Augusto F., Philipsen, Pier, Zhechkov, Lyuben, van Lenthe, Erik, Witek, Henryk A., Heine, Thomas
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Volume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct4004959
Date:
September, 2013
File:
PDF, 2.98 MB
english, 2013
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