Performance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in 57 Fe Mössbauer Spectra

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Bibliographic Details
Published inInorganic chemistry Vol. 44; no. 7; pp. 2245 - 2254
Main Authors Sinnecker, Sebastian, Slep, Leonardo D., Bill, Eckhard, Neese, Frank
Format Journal Article
LanguageEnglish
Published 01.04.2005
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ISSN:0020-1669
1520-510X
DOI:10.1021/ic048609e