A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2021-10-01
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| Series: | JACS Au |
| Online Access: | https://doi.org/10.1021/jacsau.1c00417 |
| _version_ | 1819175427033268224 |
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| author | Quan Manh Phung Yasin Muchammad Takeshi Yanai Abhik Ghosh |
| author_facet | Quan Manh Phung Yasin Muchammad Takeshi Yanai Abhik Ghosh |
| author_sort | Quan Manh Phung |
| collection | DOAJ |
| first_indexed | 2024-12-22T20:54:41Z |
| format | Article |
| id | doaj.art-039f361869db41d399aafc7c12865b5b |
| institution | Directory Open Access Journal |
| issn | 2691-3704 |
| language | English |
| last_indexed | 2024-12-22T20:54:41Z |
| publishDate | 2021-10-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | JACS Au |
| spelling | doaj.art-039f361869db41d399aafc7c12865b5b2022-12-21T18:12:58ZengAmerican Chemical SocietyJACS Au2691-37042021-10-011122303231410.1021/jacsau.1c00417A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element DerivativesQuan Manh Phung0Yasin Muchammad1Takeshi Yanai2Abhik Ghosh3Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya, Aichi, JapanDepartment of Chemistry, Graduate School of Science, Nagoya University, Nagoya, Aichi, JapanDepartment of Chemistry, Graduate School of Science, Nagoya University, Nagoya, Aichi, JapanDepartment of Chemistry, UiT-The Arctic University of Norway, Tromsø, Norwayhttps://doi.org/10.1021/jacsau.1c00417 |
| spellingShingle | Quan Manh Phung Yasin Muchammad Takeshi Yanai Abhik Ghosh A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives JACS Au |
| title | A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives |
| title_full | A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives |
| title_fullStr | A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives |
| title_full_unstemmed | A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives |
| title_short | A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives |
| title_sort | dmrg caspt2 investigation of metallocorroles quantifying ligand noninnocence in archetypal 3d and 4d element derivatives |
| url | https://doi.org/10.1021/jacsau.1c00417 |
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