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CTM4DOC: electronic structure analysis from X-ray spectroscopy
Two electronic structure descriptions, one based on orbitals and the other based on term symbols, have been implemented in a new Matlab-based program, CTM4DOC. The program includes a graphical user interface that allows the user to explore the dependence of details of electronic structure in transit...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5006656/ https://www.ncbi.nlm.nih.gov/pubmed/27577785 http://dx.doi.org/10.1107/S1600577516012443 |