TY - RPRT TI - Density functional study of the electric hyperfine interactions and the redox-structural correlations in the cofactor of nitrogenase. Analysis of general trends in (57)Fe isomer shifts. AU - Vladislav Vrajmasu AU - Eckard Münck AU - Emile L Bominaar PY - 2003 DO - 10.1021/ic0301371 UR - https://pubmed.ncbi.nlm.nih.gov/12971768/ ID - 12971768 ER -