The Structure of Monomeric Hydroxo-CuII Species in Cu-CHA. A Quantitative Assessment.
Description
Periodic DFT output files (.out) and molecular cluster geometry information (.xyz) data can be also visualized with Moldraw. The software is freely available at the link https://www.moldraw.unito.it/userfiles/download_vero.htm. Files with extension .m are Matlab input files. Matlab license can be acquired at the link https://it.mathworks.com/downloads/web_downloads/
Resources
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http://data.europa.eu/88u/dataset/oai-zenodo-org-6834536 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-6834536 |
Tags
- epr,-quantum-chemical-modelling,-zeolites,-cu