FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2024956368> ?p ?o ?g. }

• W2024956368 endingPage "10140" @default.
• W2024956368 startingPage "10133" @default.
• W2024956368 abstract "A quasi-chemical theory implemented on the basis of molecular simulation is derived and tested for the hydrophobic hydration of CF4(aq). The theory formulated here subsumes a van der Waals treatment of solvation and identifies contributions to the hydration free energy of CF4(aq) that naturally arise from chemical contributions defined by quasi-chemical theory and fluctuation contributions analogous to Debye-Hückel or random phase approximations. The resulting Gaussian statistical thermodynamic model avoids consideration of hypothetical drying-then-rewetting problems and is physically reliable in these applications as judged by the size of the fluctuation contribution. The specific results here confirm that unfavorable tails of binding energy distributions reflect few-body close solute-solvent encounters. The solvent near-neighbors are pushed by the medium into unfavorable interactions with the solute, in contrast to the alternative view that a preformed interface is pulled by the solute-solvent attractive interactions into contact with the solute. The polyatomic model of CF4(aq) studied gives a satisfactory description of the experimental solubilities including the temperature dependence. The proximal distributions evaluated here for polyatomic solutes accurately reconstruct the observed distributions of water near these molecules which are nonspherical. These results suggest that drying is not an essential consideration for the hydrophobic solubilities of CF4, or of C(CH3)4 which is more soluble." @default.
• W2024956368 created "2016-06-24" @default.
• W2024956368 creator A5011002849 @default.
• W2024956368 creator A5026395503 @default.
• W2024956368 creator A5073262211 @default.
• W2024956368 creator A5089173817 @default.
• W2024956368 creator A5091693367 @default.
• W2024956368 date "2007-07-28" @default.
• W2024956368 modified "2023-10-17" @default.
• W2024956368 title "Non-van der Waals Treatment of the Hydrophobic Solubilities of CF₄" @default.
• W2024956368 cites W1885374044 @default.
• W2024956368 cites W1909777076 @default.
• W2024956368 cites W1969010881 @default.
• W2024956368 cites W1969814430 @default.
• W2024956368 cites W1974128000 @default.
• W2024956368 cites W1978095391 @default.
• W2024956368 cites W1983830611 @default.
• W2024956368 cites W1990126256 @default.
• W2024956368 cites W1991880113 @default.
• W2024956368 cites W1997006833 @default.
• W2024956368 cites W1997975224 @default.
• W2024956368 cites W2009550115 @default.
• W2024956368 cites W2017822525 @default.
• W2024956368 cites W2018327545 @default.
• W2024956368 cites W2018688186 @default.
• W2024956368 cites W2021969654 @default.
• W2024956368 cites W2027962648 @default.
• W2024956368 cites W2030762560 @default.
• W2024956368 cites W2033558148 @default.
• W2024956368 cites W2036262450 @default.
• W2024956368 cites W2042769947 @default.
• W2024956368 cites W2046181869 @default.
• W2024956368 cites W2048638376 @default.
• W2024956368 cites W2059219004 @default.
• W2024956368 cites W2081172203 @default.
• W2024956368 cites W2087545643 @default.
• W2024956368 cites W2088781397 @default.
• W2024956368 cites W2091265186 @default.
• W2024956368 cites W2103815459 @default.
• W2024956368 cites W2106140689 @default.
• W2024956368 cites W2115403342 @default.
• W2024956368 cites W2140746956 @default.
• W2024956368 cites W2156516697 @default.
• W2024956368 cites W3098864977 @default.
• W2024956368 cites W3099429963 @default.
• W2024956368 cites W3101392086 @default.
• W2024956368 cites W4243935712 @default.
• W2024956368 cites W4250362815 @default.
• W2024956368 doi "https://doi.org/10.1021/ja071037n" @default.
• W2024956368 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17661465" @default.
• W2024956368 hasPublicationYear "2007" @default.
• W2024956368 type Work @default.
• W2024956368 sameAs 2024956368 @default.
• W2024956368 citedByCount "39" @default.
• W2024956368 countsByYear W20249563682012 @default.
• W2024956368 countsByYear W20249563682013 @default.
• W2024956368 countsByYear W20249563682014 @default.
• W2024956368 countsByYear W20249563682015 @default.
• W2024956368 countsByYear W20249563682016 @default.
• W2024956368 countsByYear W20249563682017 @default.
• W2024956368 countsByYear W20249563682020 @default.
• W2024956368 countsByYear W20249563682021 @default.
• W2024956368 crossrefType "journal-article" @default.
• W2024956368 hasAuthorship W2024956368A5011002849 @default.
• W2024956368 hasAuthorship W2024956368A5026395503 @default.
• W2024956368 hasAuthorship W2024956368A5073262211 @default.
• W2024956368 hasAuthorship W2024956368A5089173817 @default.
• W2024956368 hasAuthorship W2024956368A5091693367 @default.
• W2024956368 hasConcept C121332964 @default.
• W2024956368 hasConcept C126061179 @default.
• W2024956368 hasConcept C147597530 @default.
• W2024956368 hasConcept C147789679 @default.
• W2024956368 hasConcept C148093993 @default.
• W2024956368 hasConcept C159467904 @default.
• W2024956368 hasConcept C163716315 @default.
• W2024956368 hasConcept C178790620 @default.
• W2024956368 hasConcept C185592680 @default.
• W2024956368 hasConcept C22499117 @default.
• W2024956368 hasConcept C2779764965 @default.
• W2024956368 hasConcept C2780471494 @default.
• W2024956368 hasConcept C32909587 @default.
• W2024956368 hasConcept C33267525 @default.
• W2024956368 hasConcept C33923547 @default.
• W2024956368 hasConcept C48372109 @default.
• W2024956368 hasConcept C62520636 @default.
• W2024956368 hasConcept C66594872 @default.
• W2024956368 hasConcept C73683733 @default.
• W2024956368 hasConcept C93282013 @default.
• W2024956368 hasConcept C94375191 @default.
• W2024956368 hasConcept C97355855 @default.
• W2024956368 hasConceptScore W2024956368C121332964 @default.
• W2024956368 hasConceptScore W2024956368C126061179 @default.
• W2024956368 hasConceptScore W2024956368C147597530 @default.
• W2024956368 hasConceptScore W2024956368C147789679 @default.
• W2024956368 hasConceptScore W2024956368C148093993 @default.
• W2024956368 hasConceptScore W2024956368C159467904 @default.
• W2024956368 hasConceptScore W2024956368C163716315 @default.
• W2024956368 hasConceptScore W2024956368C178790620 @default.

• next