Title

Description of phosphate hydrolysis reactions with the self-consistent-charge density-functional-tight-binding (SCC-DFTB) theory: 1. Parameterization

RIS ID

38762

Publication Details

Yang, Y., Yu, H., York, D., Elstner, M. & Cui, Q. (2008). Description of phosphate hydrolysis reactions with the self-consistent-charge density-functional-tight-binding (SCC-DFTB) theory: 1. Parameterization. Journal of Chemical Theory and Computation, 4 (12), 2067-2084.

Please refer to publisher version or contact your library.

Share

COinS
 

Link to publisher version (DOI)

http://dx.doi.org/10.1021/ct800330d