FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023407191> ?p ?o ?g. }

• W2023407191 endingPage "2491" @default.
• W2023407191 startingPage "2487" @default.
• W2023407191 abstract "To verify whether the maximum or the minimum Fukui function site is better for protonation reactions or an altogether different local reactivity descriptor, viz., the charge is necessary, we calculate the Fukui functions (using a finite-difference approximation as well as a frozen-core approximation) and charges (Mulliken, Hirshfeld, and natural population analysis schemes) of several hydroxylamine derivatives, their sulfur-containing variants, and amino acids using B3LYP/6-311G(d,p) technique. While the Fukui functions provide the wrong selectivity criterion for hard−hard interactions, the charges are found to be more reliable, vindicating Klopman's idea. It is transparent from the present results that the hard−hard interactions are better explained in terms of charges, whereas the Fukui functions can properly account for soft−soft interactions known to be frontier-controlled." @default.
• W2023407191 created "2016-06-24" @default.
• W2023407191 creator A5029858158 @default.
• W2023407191 creator A5056766347 @default.
• W2023407191 creator A5064261512 @default.
• W2023407191 creator A5069414175 @default.
• W2023407191 creator A5089286908 @default.
• W2023407191 date "2004-03-09" @default.
• W2023407191 modified "2023-10-10" @default.
• W2023407191 title "Is the Fukui Function a Right Descriptor of Hard−Hard Interactions?" @default.
• W2023407191 cites W1984907009 @default.
• W2023407191 cites W1986647570 @default.
• W2023407191 cites W1989324543 @default.
• W2023407191 cites W1992682614 @default.
• W2023407191 cites W2009458392 @default.
• W2023407191 cites W2016660168 @default.
• W2023407191 cites W2032748690 @default.
• W2023407191 cites W2042894184 @default.
• W2023407191 cites W2047937197 @default.
• W2023407191 cites W2051682290 @default.
• W2023407191 cites W2062470770 @default.
• W2023407191 cites W2071955309 @default.
• W2023407191 cites W2083469020 @default.
• W2023407191 cites W2091692227 @default.
• W2023407191 cites W2101958915 @default.
• W2023407191 cites W4240462529 @default.
• W2023407191 cites W4243760158 @default.
• W2023407191 doi "https://doi.org/10.1021/jp037674r" @default.
• W2023407191 hasPublicationYear "2004" @default.
• W2023407191 type Work @default.
• W2023407191 sameAs 2023407191 @default.
• W2023407191 citedByCount "133" @default.
• W2023407191 countsByYear W20234071912012 @default.
• W2023407191 countsByYear W20234071912013 @default.
• W2023407191 countsByYear W20234071912014 @default.
• W2023407191 countsByYear W20234071912015 @default.
• W2023407191 countsByYear W20234071912016 @default.
• W2023407191 countsByYear W20234071912017 @default.
• W2023407191 countsByYear W20234071912018 @default.
• W2023407191 countsByYear W20234071912019 @default.
• W2023407191 countsByYear W20234071912020 @default.
• W2023407191 countsByYear W20234071912021 @default.
• W2023407191 countsByYear W20234071912022 @default.
• W2023407191 countsByYear W20234071912023 @default.
• W2023407191 crossrefType "journal-article" @default.
• W2023407191 hasAuthorship W2023407191A5029858158 @default.
• W2023407191 hasAuthorship W2023407191A5056766347 @default.
• W2023407191 hasAuthorship W2023407191A5064261512 @default.
• W2023407191 hasAuthorship W2023407191A5069414175 @default.
• W2023407191 hasAuthorship W2023407191A5089286908 @default.
• W2023407191 hasConcept C121332964 @default.
• W2023407191 hasConcept C121864883 @default.
• W2023407191 hasConcept C14036430 @default.
• W2023407191 hasConcept C142724271 @default.
• W2023407191 hasConcept C145148216 @default.
• W2023407191 hasConcept C147597530 @default.
• W2023407191 hasConcept C161790260 @default.
• W2023407191 hasConcept C178790620 @default.
• W2023407191 hasConcept C185592680 @default.
• W2023407191 hasConcept C188082385 @default.
• W2023407191 hasConcept C204787440 @default.
• W2023407191 hasConcept C2775999725 @default.
• W2023407191 hasConcept C2776910235 @default.
• W2023407191 hasConcept C2776959261 @default.
• W2023407191 hasConcept C30095370 @default.
• W2023407191 hasConcept C50027330 @default.
• W2023407191 hasConcept C62520636 @default.
• W2023407191 hasConcept C71924100 @default.
• W2023407191 hasConcept C78458016 @default.
• W2023407191 hasConcept C86803240 @default.
• W2023407191 hasConceptScore W2023407191C121332964 @default.
• W2023407191 hasConceptScore W2023407191C121864883 @default.
• W2023407191 hasConceptScore W2023407191C14036430 @default.
• W2023407191 hasConceptScore W2023407191C142724271 @default.
• W2023407191 hasConceptScore W2023407191C145148216 @default.
• W2023407191 hasConceptScore W2023407191C147597530 @default.
• W2023407191 hasConceptScore W2023407191C161790260 @default.
• W2023407191 hasConceptScore W2023407191C178790620 @default.
• W2023407191 hasConceptScore W2023407191C185592680 @default.
• W2023407191 hasConceptScore W2023407191C188082385 @default.
• W2023407191 hasConceptScore W2023407191C204787440 @default.
• W2023407191 hasConceptScore W2023407191C2775999725 @default.
• W2023407191 hasConceptScore W2023407191C2776910235 @default.
• W2023407191 hasConceptScore W2023407191C2776959261 @default.
• W2023407191 hasConceptScore W2023407191C30095370 @default.
• W2023407191 hasConceptScore W2023407191C50027330 @default.
• W2023407191 hasConceptScore W2023407191C62520636 @default.
• W2023407191 hasConceptScore W2023407191C71924100 @default.
• W2023407191 hasConceptScore W2023407191C78458016 @default.
• W2023407191 hasConceptScore W2023407191C86803240 @default.
• W2023407191 hasIssue "13" @default.
• W2023407191 hasLocation W20234071911 @default.
• W2023407191 hasOpenAccess W2023407191 @default.
• W2023407191 hasPrimaryLocation W20234071911 @default.
• W2023407191 hasRelatedWork W1976569683 @default.
• W2023407191 hasRelatedWork W1988807389 @default.
• W2023407191 hasRelatedWork W1989911071 @default.
• W2023407191 hasRelatedWork W2046137197 @default.

• next