Matches in SemOpenAlex for { <https://semopenalex.org/work/W3183181796> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W3183181796 endingPage "7055" @default.
- W3183181796 startingPage "7049" @default.
- W3183181796 abstract "New type of cytotoxicity descriptors based on Cu(II) coordination ability of p-substituted phenols and subsequent O→Cu electron density transfer is introduced. Geometries of phenols and of their Cu(II) complexes are optimized at the DFT level of theory. The amount of electron density transfer is evaluated using the copper charge or the electron density Laplacian at the Cu−O bond critical point. The Cu-phenol interaction energy is a measure of the phenol reactivity. Statistical parameters for the linear dependence of the published cytotoxicity data on the above predictors are much better than the classical ones." @default.
- W3183181796 created "2021-08-02" @default.
- W3183181796 creator A5050974208 @default.
- W3183181796 creator A5075993859 @default.
- W3183181796 date "2021-07-21" @default.
- W3183181796 modified "2023-10-16" @default.
- W3183181796 title "DFT Studies of Substituted Phenols Cytotoxicity I. <i>Para</i> ‐substituted Phenols" @default.
- W3183181796 cites W1107997112 @default.
- W3183181796 cites W1965842743 @default.
- W3183181796 cites W2002901895 @default.
- W3183181796 cites W2009252359 @default.
- W3183181796 cites W2018408493 @default.
- W3183181796 cites W2023496696 @default.
- W3183181796 cites W2058343239 @default.
- W3183181796 cites W2073669777 @default.
- W3183181796 cites W2076456468 @default.
- W3183181796 cites W2104974810 @default.
- W3183181796 cites W2160481625 @default.
- W3183181796 cites W2167960921 @default.
- W3183181796 cites W2289241051 @default.
- W3183181796 cites W2316388182 @default.
- W3183181796 cites W2461746417 @default.
- W3183181796 cites W2615484523 @default.
- W3183181796 cites W2885050237 @default.
- W3183181796 cites W2947382931 @default.
- W3183181796 cites W2999587117 @default.
- W3183181796 cites W3098804445 @default.
- W3183181796 cites W3104218720 @default.
- W3183181796 doi "https://doi.org/10.1002/slct.202101568" @default.
- W3183181796 hasPublicationYear "2021" @default.
- W3183181796 type Work @default.
- W3183181796 sameAs 3183181796 @default.
- W3183181796 citedByCount "9" @default.
- W3183181796 countsByYear W31831817962021 @default.
- W3183181796 countsByYear W31831817962022 @default.
- W3183181796 countsByYear W31831817962023 @default.
- W3183181796 crossrefType "journal-article" @default.
- W3183181796 hasAuthorship W3183181796A5050974208 @default.
- W3183181796 hasAuthorship W3183181796A5075993859 @default.
- W3183181796 hasBestOaLocation W31831817962 @default.
- W3183181796 hasConcept C109316439 @default.
- W3183181796 hasConcept C121332964 @default.
- W3183181796 hasConcept C123669783 @default.
- W3183181796 hasConcept C125485243 @default.
- W3183181796 hasConcept C142724271 @default.
- W3183181796 hasConcept C147120987 @default.
- W3183181796 hasConcept C147597530 @default.
- W3183181796 hasConcept C152365726 @default.
- W3183181796 hasConcept C178790620 @default.
- W3183181796 hasConcept C185592680 @default.
- W3183181796 hasConcept C202751555 @default.
- W3183181796 hasConcept C204787440 @default.
- W3183181796 hasConcept C2776910235 @default.
- W3183181796 hasConcept C2777702071 @default.
- W3183181796 hasConcept C2777728882 @default.
- W3183181796 hasConcept C544778455 @default.
- W3183181796 hasConcept C55493867 @default.
- W3183181796 hasConcept C62520636 @default.
- W3183181796 hasConcept C71924100 @default.
- W3183181796 hasConceptScore W3183181796C109316439 @default.
- W3183181796 hasConceptScore W3183181796C121332964 @default.
- W3183181796 hasConceptScore W3183181796C123669783 @default.
- W3183181796 hasConceptScore W3183181796C125485243 @default.
- W3183181796 hasConceptScore W3183181796C142724271 @default.
- W3183181796 hasConceptScore W3183181796C147120987 @default.
- W3183181796 hasConceptScore W3183181796C147597530 @default.
- W3183181796 hasConceptScore W3183181796C152365726 @default.
- W3183181796 hasConceptScore W3183181796C178790620 @default.
- W3183181796 hasConceptScore W3183181796C185592680 @default.
- W3183181796 hasConceptScore W3183181796C202751555 @default.
- W3183181796 hasConceptScore W3183181796C204787440 @default.
- W3183181796 hasConceptScore W3183181796C2776910235 @default.
- W3183181796 hasConceptScore W3183181796C2777702071 @default.
- W3183181796 hasConceptScore W3183181796C2777728882 @default.
- W3183181796 hasConceptScore W3183181796C544778455 @default.
- W3183181796 hasConceptScore W3183181796C55493867 @default.
- W3183181796 hasConceptScore W3183181796C62520636 @default.
- W3183181796 hasConceptScore W3183181796C71924100 @default.
- W3183181796 hasIssue "28" @default.
- W3183181796 hasLocation W31831817961 @default.
- W3183181796 hasLocation W31831817962 @default.
- W3183181796 hasOpenAccess W3183181796 @default.
- W3183181796 hasPrimaryLocation W31831817961 @default.
- W3183181796 hasRelatedWork W1971355352 @default.
- W3183181796 hasRelatedWork W1980893575 @default.
- W3183181796 hasRelatedWork W1998811564 @default.
- W3183181796 hasRelatedWork W2028333188 @default.
- W3183181796 hasRelatedWork W2076291501 @default.
- W3183181796 hasRelatedWork W2149454705 @default.
- W3183181796 hasRelatedWork W2527426065 @default.
- W3183181796 hasRelatedWork W2951247915 @default.
- W3183181796 hasRelatedWork W2951262587 @default.
- W3183181796 hasRelatedWork W3187909870 @default.
- W3183181796 hasVolume "6" @default.
- W3183181796 isParatext "false" @default.
- W3183181796 isRetracted "false" @default.
- W3183181796 magId "3183181796" @default.
- W3183181796 workType "article" @default.