[Wien] Quadrupole Splitting and EFG
Joshua Davis
davis101 at chemistry.msu.edu
Tue Aug 13 04:26:08 CEST 2013
Dear Wien Users
I am trying to calculate the quadrupole splitting for a compound we have I
am just curious on what EFG I need..
Would is just be the :EFGxxx value,
the V_20 value,
the V_zz value,
or is is it some combination of the density and V_20 like in the Dr.Blaha's
mossbauer talk.
I know this is going sound like a very simple question, but any
clarification would be much appreciated
----------------------------------------------------------------------------------------------------------------------------------------------
Joshua D. Davis
davis.d.josh at gmail.com
Cell: (734)945-6031
Graduate Assistant
Department of Chemistry
Michigan State University
578 S. Shaw Lane****, room 432**
East Lansing, MI 48824
-----------------------------------------------------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130812/8c6c97d5/attachment.htm>
More information about the Wien
mailing list