Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014387871> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2014387871 endingPage "1081" @default.
- W2014387871 startingPage "1076" @default.
- W2014387871 abstract "Halogenated methyl-phenyl ethers (anisoles) are ubiquitous organic compounds in the environment. In the present study, geometrical optimization and electrostatic potential calculations have been performed for 134 halogenated anisoles at the HF/6-31G* level of theory. A number of statistically based parameters have been obtained. Linear relationships between sub-cooled liquid vapor pressures (lg pL), n-octanol/water partition coefficient (lg Kow) and aqueous solubilities (−lg Sw,L) of halogenated anisoles and the structural descriptors have been established by multiple regression method. The result shows that the quantities derived from electrostatic potential Vmin, Vs,max, ∑Vs+, ∑Vs−, Vs,av− and ν, together with the molecular volume (Vmc) and EHOMO can be well used to express the quantitative structure–property relationships of halogenated anisoles, which proves the general applicability of this parameter set to a great extent. Good predictive capabilities have also been demonstrated. Based on these excellent equations, the predicted values have been presented for those halogenated anisoles whose experimentally determined physicochemical properties are unavailable." @default.
- W2014387871 created "2016-06-24" @default.
- W2014387871 creator A5012132969 @default.
- W2014387871 creator A5023404859 @default.
- W2014387871 creator A5040756874 @default.
- W2014387871 creator A5072077831 @default.
- W2014387871 date "2008-04-01" @default.
- W2014387871 modified "2023-09-25" @default.
- W2014387871 title "QSPR models for the physicochemical properties of halogenated methyl-phenyl ethers" @default.
- W2014387871 cites W1006117452 @default.
- W2014387871 cites W1972362308 @default.
- W2014387871 cites W1984817555 @default.
- W2014387871 cites W1989474647 @default.
- W2014387871 cites W1996264911 @default.
- W2014387871 cites W2006810472 @default.
- W2014387871 cites W2009301722 @default.
- W2014387871 cites W2025587131 @default.
- W2014387871 cites W2027219643 @default.
- W2014387871 cites W2028245867 @default.
- W2014387871 cites W2033062180 @default.
- W2014387871 cites W2034907439 @default.
- W2014387871 cites W2040622092 @default.
- W2014387871 cites W2047167214 @default.
- W2014387871 cites W2048714990 @default.
- W2014387871 cites W2054082457 @default.
- W2014387871 cites W2057098177 @default.
- W2014387871 cites W2062929811 @default.
- W2014387871 cites W2068182031 @default.
- W2014387871 cites W2069374132 @default.
- W2014387871 cites W2071273440 @default.
- W2014387871 cites W2074337891 @default.
- W2014387871 cites W2081632019 @default.
- W2014387871 cites W2081783912 @default.
- W2014387871 cites W2082685043 @default.
- W2014387871 cites W2082927811 @default.
- W2014387871 cites W2083084862 @default.
- W2014387871 cites W2083130883 @default.
- W2014387871 cites W2087725299 @default.
- W2014387871 cites W2093987606 @default.
- W2014387871 cites W2094278300 @default.
- W2014387871 cites W2952662925 @default.
- W2014387871 doi "https://doi.org/10.1016/j.jmgm.2007.09.004" @default.
- W2014387871 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18060816" @default.
- W2014387871 hasPublicationYear "2008" @default.
- W2014387871 type Work @default.
- W2014387871 sameAs 2014387871 @default.
- W2014387871 citedByCount "15" @default.
- W2014387871 countsByYear W20143878712012 @default.
- W2014387871 countsByYear W20143878712013 @default.
- W2014387871 countsByYear W20143878712015 @default.
- W2014387871 countsByYear W20143878712016 @default.
- W2014387871 countsByYear W20143878712017 @default.
- W2014387871 countsByYear W20143878712019 @default.
- W2014387871 countsByYear W20143878712020 @default.
- W2014387871 countsByYear W20143878712021 @default.
- W2014387871 crossrefType "journal-article" @default.
- W2014387871 hasAuthorship W2014387871A5012132969 @default.
- W2014387871 hasAuthorship W2014387871A5023404859 @default.
- W2014387871 hasAuthorship W2014387871A5040756874 @default.
- W2014387871 hasAuthorship W2014387871A5072077831 @default.
- W2014387871 hasConcept C136686880 @default.
- W2014387871 hasConcept C147597530 @default.
- W2014387871 hasConcept C164126121 @default.
- W2014387871 hasConcept C178790620 @default.
- W2014387871 hasConcept C184651966 @default.
- W2014387871 hasConcept C185592680 @default.
- W2014387871 hasConcept C192552737 @default.
- W2014387871 hasConcept C2776226600 @default.
- W2014387871 hasConcept C71240020 @default.
- W2014387871 hasConceptScore W2014387871C136686880 @default.
- W2014387871 hasConceptScore W2014387871C147597530 @default.
- W2014387871 hasConceptScore W2014387871C164126121 @default.
- W2014387871 hasConceptScore W2014387871C178790620 @default.
- W2014387871 hasConceptScore W2014387871C184651966 @default.
- W2014387871 hasConceptScore W2014387871C185592680 @default.
- W2014387871 hasConceptScore W2014387871C192552737 @default.
- W2014387871 hasConceptScore W2014387871C2776226600 @default.
- W2014387871 hasConceptScore W2014387871C71240020 @default.
- W2014387871 hasIssue "7" @default.
- W2014387871 hasLocation W20143878711 @default.
- W2014387871 hasLocation W20143878712 @default.
- W2014387871 hasOpenAccess W2014387871 @default.
- W2014387871 hasPrimaryLocation W20143878711 @default.
- W2014387871 hasRelatedWork W1964778553 @default.
- W2014387871 hasRelatedWork W1965393039 @default.
- W2014387871 hasRelatedWork W1972272448 @default.
- W2014387871 hasRelatedWork W1997358970 @default.
- W2014387871 hasRelatedWork W2014387871 @default.
- W2014387871 hasRelatedWork W2094091563 @default.
- W2014387871 hasRelatedWork W2356490145 @default.
- W2014387871 hasRelatedWork W2381973274 @default.
- W2014387871 hasRelatedWork W2382530977 @default.
- W2014387871 hasRelatedWork W2892207903 @default.
- W2014387871 hasVolume "26" @default.
- W2014387871 isParatext "false" @default.
- W2014387871 isRetracted "false" @default.
- W2014387871 magId "2014387871" @default.
- W2014387871 workType "article" @default.