المؤلفون: Nico Spiller (11690231), Ragnar Bjornsson (1303791), Serena DeBeer (1325124), Frank Neese (736441)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Inorganic Chemistry, Plant Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, scaled calculated frequency, polarizable continuum illustrates, detailed quantum mechanics, carbon monoxide binding, bridging belt sulfides, stabilizing specific co, diamagnetically substituted femoco, ray structure shows, local electronic structure, mm model predicts, mm model incorporates, binding redox state, 2 , 1 , initial terminal co, ray structure, electronic structure, mm model, bridging co, redox state, atomic structure, co binds, cluster model

Relation: https://figshare.com/articles/dataset/Carbon_Monoxide_Binding_to_the_Iron_Molybdenum_Cofactor_of_Nitrogenase_a_Detailed_Quantum_Mechanics_Molecular_Mechanics_Investigation/17003033

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c02649.s001