FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2906399225> ?p ?o ?g. }

• W2906399225 abstract "When DFT has been applied to study mechanisms of redox processes a common procedure has been to study the results for many different functionals. For redox reactions involving the first row transition metals, this approach has given very different results for different functionals. The conclusion has been that DFT cannot be used for these reactions. In the meantime, results with strong predictability have been generated, most noteworthy for photosystem II, where all DFT predictions have been verified by experiments performed later. In order to obtain these predictive results using DFT, an alternative, systematic approach has been used, where the key differences between the results for different functionals can be rationalized by using a single parameter, rather than using the very large number of differences in the functionals." @default.
• W2906399225 created "2019-01-01" @default.
• W2906399225 creator A5066524853 @default.
• W2906399225 creator A5068989141 @default.
• W2906399225 date "2018-12-21" @default.
• W2906399225 modified "2023-10-10" @default.
• W2906399225 title "A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes" @default.
• W2906399225 cites W1087938070 @default.
• W2906399225 cites W1964567061 @default.
• W2906399225 cites W1967352215 @default.
• W2906399225 cites W1971054014 @default.
• W2906399225 cites W1980577987 @default.
• W2906399225 cites W1983145261 @default.
• W2906399225 cites W1983656816 @default.
• W2906399225 cites W2004492214 @default.
• W2906399225 cites W2004924857 @default.
• W2906399225 cites W2033164164 @default.
• W2906399225 cites W2043006762 @default.
• W2906399225 cites W2048451151 @default.
• W2906399225 cites W2048870886 @default.
• W2906399225 cites W2062930912 @default.
• W2906399225 cites W2076047438 @default.
• W2906399225 cites W2086436212 @default.
• W2906399225 cites W2092157292 @default.
• W2906399225 cites W2092707940 @default.
• W2906399225 cites W2095909886 @default.
• W2906399225 cites W2112575995 @default.
• W2906399225 cites W2140135142 @default.
• W2906399225 cites W2143981217 @default.
• W2906399225 cites W2145062831 @default.
• W2906399225 cites W2152693696 @default.
• W2906399225 cites W2183228235 @default.
• W2906399225 cites W2201512562 @default.
• W2906399225 cites W2506164751 @default.
• W2906399225 cites W2587129912 @default.
• W2906399225 cites W2624690571 @default.
• W2906399225 cites W2626244851 @default.
• W2906399225 cites W2781636707 @default.
• W2906399225 cites W2806657518 @default.
• W2906399225 cites W2898136585 @default.
• W2906399225 cites W2898382642 @default.
• W2906399225 doi "https://doi.org/10.3389/fchem.2018.00644" @default.
• W2906399225 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6309562" @default.
• W2906399225 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30627530" @default.
• W2906399225 hasPublicationYear "2018" @default.
• W2906399225 type Work @default.
• W2906399225 sameAs 2906399225 @default.
• W2906399225 citedByCount "37" @default.
• W2906399225 countsByYear W29063992252019 @default.
• W2906399225 countsByYear W29063992252020 @default.
• W2906399225 countsByYear W29063992252021 @default.
• W2906399225 countsByYear W29063992252022 @default.
• W2906399225 countsByYear W29063992252023 @default.
• W2906399225 crossrefType "journal-article" @default.
• W2906399225 hasAuthorship W2906399225A5066524853 @default.
• W2906399225 hasAuthorship W2906399225A5068989141 @default.
• W2906399225 hasBestOaLocation W29063992251 @default.
• W2906399225 hasConcept C121332964 @default.
• W2906399225 hasConcept C121864883 @default.
• W2906399225 hasConcept C147597530 @default.
• W2906399225 hasConcept C152365726 @default.
• W2906399225 hasConcept C159467904 @default.
• W2906399225 hasConcept C179104552 @default.
• W2906399225 hasConcept C183688256 @default.
• W2906399225 hasConcept C185592680 @default.
• W2906399225 hasConcept C186060115 @default.
• W2906399225 hasConcept C192562407 @default.
• W2906399225 hasConcept C197640229 @default.
• W2906399225 hasConcept C2991733762 @default.
• W2906399225 hasConcept C55493867 @default.
• W2906399225 hasConcept C55904794 @default.
• W2906399225 hasConcept C62520636 @default.
• W2906399225 hasConcept C80298142 @default.
• W2906399225 hasConcept C86803240 @default.
• W2906399225 hasConceptScore W2906399225C121332964 @default.
• W2906399225 hasConceptScore W2906399225C121864883 @default.
• W2906399225 hasConceptScore W2906399225C147597530 @default.
• W2906399225 hasConceptScore W2906399225C152365726 @default.
• W2906399225 hasConceptScore W2906399225C159467904 @default.
• W2906399225 hasConceptScore W2906399225C179104552 @default.
• W2906399225 hasConceptScore W2906399225C183688256 @default.
• W2906399225 hasConceptScore W2906399225C185592680 @default.
• W2906399225 hasConceptScore W2906399225C186060115 @default.
• W2906399225 hasConceptScore W2906399225C192562407 @default.
• W2906399225 hasConceptScore W2906399225C197640229 @default.
• W2906399225 hasConceptScore W2906399225C2991733762 @default.
• W2906399225 hasConceptScore W2906399225C55493867 @default.
• W2906399225 hasConceptScore W2906399225C55904794 @default.
• W2906399225 hasConceptScore W2906399225C62520636 @default.
• W2906399225 hasConceptScore W2906399225C80298142 @default.
• W2906399225 hasConceptScore W2906399225C86803240 @default.
• W2906399225 hasFunder F4320322581 @default.
• W2906399225 hasLocation W29063992251 @default.
• W2906399225 hasLocation W29063992252 @default.
• W2906399225 hasLocation W29063992253 @default.
• W2906399225 hasLocation W29063992254 @default.
• W2906399225 hasLocation W29063992255 @default.
• W2906399225 hasOpenAccess W2906399225 @default.
• W2906399225 hasPrimaryLocation W29063992251 @default.
• W2906399225 hasRelatedWork W1593696205 @default.

• next