Estimations of Fe–N2 Intrinsic Interaction Energies of Iron–Sulfur/Nitrogen–Carbon Sites: A Deeper Bonding Insight by EDA-NOCV Analysis of a Model Complex of the Nitrogenase Cofactor
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2021-12-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.1c05238 |