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Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl Complexes
Boguslawski, Katharina, Jacob, Christoph R., Reiher, MarkusVolume:
7
Year:
2011
Language:
english
Pages:
13
DOI:
10.1021/ct1006218
File:
PDF, 5.29 MB
english, 2011