MD-XAFS (Molecular Dynamics X-ray Adsorption Fine Structure) makes the connection between simulation techniques that generate an ensemble of molecular configurations and the direct signal observed from X-ray measurement.
Revised: March 28, 2017 |
Published: January 20, 2017
Citation
Schenter G.K., and J.L. Fulton. 2017.Molecular Dynamics Simulations and XAFS (MD-XAFS). In XAFS Techniques for Catalysts, Nanomaterials, and Surfaces, edited by Y Iwasawa, K Asakura and M Tada. 251-270. Cham:Springer International Publishing.PNNL-SA-112385.doi:10.1007/978-3-319-43866-5_18