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 |
| _version_ | 1819179132351676416 |
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| author | Sai Manoj N. V. T. Gorantla Kartik Chandra Mondal |
| author_facet | Sai Manoj N. V. T. Gorantla Kartik Chandra Mondal |
| author_sort | Sai Manoj N. V. T. Gorantla |
| collection | DOAJ |
| first_indexed | 2024-12-22T21:53:35Z |
| format | Article |
| id | doaj.art-a679e2d0d507459c8b60849668f55ba1 |
| institution | Directory Open Access Journal |
| issn | 2470-1343 |
| language | English |
| last_indexed | 2024-12-22T21:53:35Z |
| publishDate | 2021-12-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj.art-a679e2d0d507459c8b60849668f55ba12022-12-21T18:11:18ZengAmerican Chemical SocietyACS Omega2470-13432021-12-01649339323394210.1021/acsomega.1c05238Estimations 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 CofactorSai Manoj N. V. T. GorantlaKartik Chandra Mondalhttps://doi.org/10.1021/acsomega.1c05238 |
| spellingShingle | Sai Manoj N. V. T. Gorantla Kartik Chandra Mondal 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 ACS Omega |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| url | https://doi.org/10.1021/acsomega.1c05238 |
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