Description of Phosphate Hydrolysis Reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) Theory. 1. Parameterization

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Title
Description of Phosphate Hydrolysis Reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) Theory. 1. Parameterization
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 4, Issue 12, Pages 2067-2084
Publisher
American Chemical Society (ACS)
Online
2008-11-06
DOI
10.1021/ct800330d

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