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Get Free AccessA refined protocol for scalar relativistic quantum chemical calculations of Mössbauer spectroscopic parameters is developed on the basis of a new and chemically complete reference set of iron compounds.
Golokesh Santra, Frank Neese, Dimitrios A. Pantazis (2024). Extensive Reference Set and Refined Computational Protocol for Calculations of 57Fe Mössbauer Parameters. Physical Chemistry Chemical Physics, 26(35), pp. 23322-23334, DOI: 10.1039/d4cp00431k.
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Type
Article
Year
2024
Authors
3
Datasets
0
Total Files
0
Language
English
Journal
Physical Chemistry Chemical Physics
DOI
10.1039/d4cp00431k
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