Description of Phosphate Hydrolysis Reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) Theory. 1. Parameterization
- 6 November 2008
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Theory and Computation
- Vol. 4 (12), 2067-2084
- https://doi.org/10.1021/ct800330d
Abstract
No abstract availableKeywords
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