Accurate SCC-DFTB parameterization for bulk water

Journal of Chemical Theory and Computation 2020 / 02

Accurate SCC-DFTB parameterization for bulk water

Lourenço, Maicon Pierre, Dos Santos, Egon Campos, Pettersson, Lars Gunnar Moody, Duarte, Hélio Anderson
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00816
Date:
February, 2020
File:
PDF, 3.88 MB
2020
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