Re: [Ifeffit] Sorbed complex in Atoms

Gnu, First, we prefer people to use their real names here, because we are all adults discussing science. On Thu, Jun 9, 2016 at 11:12 AM, Gnu script wrote: > Hi Bruce, > Thanks for your reply. I am familiar with outer-sphere complexation and > how it works but I am much less familiar with Artem

Re: [Ifeffit] Sorbed complex in Atoms

Hi Bruce, Thanks for your reply. I am familiar with outer-sphere complexation and how it works but I am much less familiar with Artemis and how such question can be approached. In the past we used Excurve and DL-Excurve where you can simply name the backscatter with initial estimates of N and R but

Re: [Ifeffit] Sorbed complex in Atoms

This is an very vague and open-ended question. Have you read any of the very extensive literature applying EXAFS to outer-sphere complexation? Have you tried anything ... anything at all ... to solve your problem? If you ask specific questions, you will get good answers. If you ask folks

Re: [Ifeffit] Question about fuzzy degeneracy

The tool for computing fuzzy degeneracy over sites that is currently implemented in Artemis is specifically for multiple sites occupied by the same atomic species in a crystal structure. As I stated in the paper, the same concept can be implemented by looping over positions in any kind of st

[Ifeffit] Question about fuzzy degeneracy

Hey, I am quite new to EXAFS and therefore very glad about this mailing list, it helps a lot. My question is about the fuzzy degeneracy mentioned in the paper "Path degeneracy and EXAFS analysis of disordered materials" (Ravel, B. J Synchrotron Radiat.

[Ifeffit] Sorbed complex in Atoms

Dear All, I am relatively new to Ifeffit and Artemis. I am trying to find a way to create four-shell model of an outer-sphere complex in Atoms or some other way readable by Atoms. I have no idea about the geometry, space group but some rough guess of bond-distances. The model to test against the E