A rapid method for spherical-wave calculation of EXAFS spectra including multiple scattering is described. Examples include Co and Cu imidazole complexes, a mixed ligand iron complex, and the native and substrate complexed forms of protocatechuate 3,4-dioxygenase (PCD).
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Electrical and Electronic Engineering