Published March 4, 2023
| Version 1
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Supporting files for manuscript: Effect of the coordination environment on the ability of iron to bind/activate N2: relevance to the nitrogenase mechanism
Description
Supporting files for manuscript 'Effect of the coordination environment on the ability of iron to bind/activate N2: relevance to the nitrogenase mechanism': input files, optimized structures, checkpoint files usable for molecular orbital diagrams.
Files
Files
(11.7 MB)
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md5:67a41f06c000523285ab7ecbb22b3ca0
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11.7 MB | Download |