Creating a structure from EXAFS fitting
27 Jun
2024
27 Jun
'24
10:47 a.m.
Hello XAFS friends. I would like to know how to create a structure model for a molecule that was measured with EXAFS, then modeled using the typical strategies? - So, in the end you have some distances and bond angles from the central atom to the first, and maybe second neighbor. I was thinking that you start from a similar crystal structure and then adapt that model using the numbers you got from EXAFS fitting, using for example the Vesta program. Best wishes, Lisa. Lisa Langlois, PhD Beamline scientist Rm 144 Phone: +1 225-578-9341 LSU-CAMD 6980 Jefferson Hwy, Baton Rouge, LA 70806 https://urldefense.us/v3/__https://www.lsu.edu/camd/__;!!G_uCfscf7eWS!ZSSymm...
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Lisa Langlois