Matches in SemOpenAlex for { <https://semopenalex.org/work/W2897932488> ?p ?o ?g. }
Showing items 1 to 86 of
86
with 100 items per page.
- W2897932488 abstract "The electronic structure of the metal cofactors of nitrogenase is central to biological nitrogen fixation. However, the P-cluster and iron molybdenum cofactor, each containing eight metal ions, have long resisted detailed characterization of their low-lying electronic states. Through exhaustive many-electron wavefunction simulation, we report on the full low-energy landscape of the P-cluster in three biologically relevant oxidation states. We trace the origin of the low-lying spectrum to the underlying local atomic states and their global recoupling, and how the interplay between antiferromagnetism, delocalization, and spin frustration as the geometry changes upon oxidation gives rise to the structure of the electronic landscape. Our results support the narrative that many-electron wavefunction simulations stand to provide a resolution of the complicated cofactors in nitrogenase at the electronic level." @default.
- W2897932488 created "2018-10-26" @default.
- W2897932488 creator A5037766138 @default.
- W2897932488 creator A5046000864 @default.
- W2897932488 creator A5059193953 @default.
- W2897932488 creator A5082397890 @default.
- W2897932488 date "2018-10-24" @default.
- W2897932488 modified "2023-09-25" @default.
- W2897932488 title "The electronic landscape of the P-cluster of nitrogenase" @default.
- W2897932488 hasPublicationYear "2018" @default.
- W2897932488 type Work @default.
- W2897932488 sameAs 2897932488 @default.
- W2897932488 citedByCount "0" @default.
- W2897932488 crossrefType "posted-content" @default.
- W2897932488 hasAuthorship W2897932488A5037766138 @default.
- W2897932488 hasAuthorship W2897932488A5046000864 @default.
- W2897932488 hasAuthorship W2897932488A5059193953 @default.
- W2897932488 hasAuthorship W2897932488A5082397890 @default.
- W2897932488 hasConcept C113603373 @default.
- W2897932488 hasConcept C121332964 @default.
- W2897932488 hasConcept C141280058 @default.
- W2897932488 hasConcept C147120987 @default.
- W2897932488 hasConcept C147597530 @default.
- W2897932488 hasConcept C155355069 @default.
- W2897932488 hasConcept C159467904 @default.
- W2897932488 hasConcept C164866538 @default.
- W2897932488 hasConcept C178790620 @default.
- W2897932488 hasConcept C179104552 @default.
- W2897932488 hasConcept C181440489 @default.
- W2897932488 hasConcept C184779094 @default.
- W2897932488 hasConcept C185592680 @default.
- W2897932488 hasConcept C199360897 @default.
- W2897932488 hasConcept C26873012 @default.
- W2897932488 hasConcept C41008148 @default.
- W2897932488 hasConcept C537208039 @default.
- W2897932488 hasConcept C549387045 @default.
- W2897932488 hasConcept C62520636 @default.
- W2897932488 hasConcept C70050531 @default.
- W2897932488 hasConcept C86025842 @default.
- W2897932488 hasConceptScore W2897932488C113603373 @default.
- W2897932488 hasConceptScore W2897932488C121332964 @default.
- W2897932488 hasConceptScore W2897932488C141280058 @default.
- W2897932488 hasConceptScore W2897932488C147120987 @default.
- W2897932488 hasConceptScore W2897932488C147597530 @default.
- W2897932488 hasConceptScore W2897932488C155355069 @default.
- W2897932488 hasConceptScore W2897932488C159467904 @default.
- W2897932488 hasConceptScore W2897932488C164866538 @default.
- W2897932488 hasConceptScore W2897932488C178790620 @default.
- W2897932488 hasConceptScore W2897932488C179104552 @default.
- W2897932488 hasConceptScore W2897932488C181440489 @default.
- W2897932488 hasConceptScore W2897932488C184779094 @default.
- W2897932488 hasConceptScore W2897932488C185592680 @default.
- W2897932488 hasConceptScore W2897932488C199360897 @default.
- W2897932488 hasConceptScore W2897932488C26873012 @default.
- W2897932488 hasConceptScore W2897932488C41008148 @default.
- W2897932488 hasConceptScore W2897932488C537208039 @default.
- W2897932488 hasConceptScore W2897932488C549387045 @default.
- W2897932488 hasConceptScore W2897932488C62520636 @default.
- W2897932488 hasConceptScore W2897932488C70050531 @default.
- W2897932488 hasConceptScore W2897932488C86025842 @default.
- W2897932488 hasLocation W28979324881 @default.
- W2897932488 hasOpenAccess W2897932488 @default.
- W2897932488 hasPrimaryLocation W28979324881 @default.
- W2897932488 hasRelatedWork W1498573368 @default.
- W2897932488 hasRelatedWork W1964276026 @default.
- W2897932488 hasRelatedWork W1987815754 @default.
- W2897932488 hasRelatedWork W1989775442 @default.
- W2897932488 hasRelatedWork W2006711031 @default.
- W2897932488 hasRelatedWork W2007139669 @default.
- W2897932488 hasRelatedWork W2009947452 @default.
- W2897932488 hasRelatedWork W2040896618 @default.
- W2897932488 hasRelatedWork W2043498077 @default.
- W2897932488 hasRelatedWork W2065296053 @default.
- W2897932488 hasRelatedWork W2078220177 @default.
- W2897932488 hasRelatedWork W2086621831 @default.
- W2897932488 hasRelatedWork W2129769691 @default.
- W2897932488 hasRelatedWork W2223475525 @default.
- W2897932488 hasRelatedWork W2952483659 @default.
- W2897932488 hasRelatedWork W3036409992 @default.
- W2897932488 hasRelatedWork W3102432727 @default.
- W2897932488 hasRelatedWork W432965128 @default.
- W2897932488 hasRelatedWork W52506044 @default.
- W2897932488 isParatext "false" @default.
- W2897932488 isRetracted "false" @default.
- W2897932488 magId "2897932488" @default.
- W2897932488 workType "article" @default.