TY - GEN AU - Hofmann,Matthias TI - Density functional theory studies of model complexes for molybdenum-dependent nitrate reductase active sites SN - 0949-8257 PY - 2007///1212 KW - Binding Sites KW - Computer Simulation KW - Ligands KW - Models, Biological KW - Molecular Structure KW - Molybdenum KW - chemistry KW - Nitrate Reductase KW - Quantum Theory N1 - Publication Type: Journal Article; Research Support, Non-U.S. Gov't UR - https://doi.org/10.1007/s00775-007-0271-5 ER -