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Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement

Journal: Inorganic Chemistry

Published: 2019-07-08

DOI: 10.1021/acs.inorgchem.9b00400

Affiliations: 3

Authors: 5

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Institutions Share
Division of Theoretical Chemistry, LU, Sweden 0.87
Institute of Organic Chemistry, WWU, Germany 0.07
Center for Multiscale Theory and Computation (CMTC), WWU, Germany 0.07