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

TitleDescription of Phosphate Hydrolysis Reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) Theory. 1. Parameterization
Publication TypeJournal Article
Year of Publication2008
AuthorsYang, Y, Yu, HB, York, D, Elstner, M, Cui, Q
JournalJournal of Chemical Theory and Computation
Volume4
Pagination2067-2084
Date PublishedDec
Accession NumberISI:000261613800009