FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2316807518> ?p ?o ?g. }

• W2316807518 endingPage "5624" @default.
• W2316807518 startingPage "5616" @default.
• W2316807518 abstract "Many ionic solutions exhibit species-dependent properties, including surface tension and the salting-out of proteins. These effects may be loosely quantified in terms of the Hofmeister series, first identified in the context of protein solubility. Here, our interest is to develop atomistic models capable of capturing Hofmeister effects rigorously. Importantly, we aim to capture this dependence in computationally cheap hard ionic models, which do not exhibit dynamic polarization. To do this, we have performed an investigation detailing the effects of the water model on these properties. Though incredibly important, the role of water models in simulation of ionic solutions and biological systems is essentially unexplored. We quantify this via the ion-dependent surface attraction of the halide series (Cl, Br, I) and, in so doing, determine the relative importance of various hypothesized contributions to ionic surface free energies. Importantly, we demonstrate surface adsorption can result in hard ionic models combined with a thermodynamically accurate representation of the water molecule (TIP4Q). The effect observed in simulations of iodide is commensurate with previous calculations of the surface potential of mean force in rigid molecular dynamics and polarizable density-functional models. Our calculations are direct simulation evidence of the subtle but sensitive role of water thermodynamics in atomistic simulations." @default.
• W2316807518 created "2016-06-24" @default.
• W2316807518 creator A5012026163 @default.
• W2316807518 creator A5014198121 @default.
• W2316807518 creator A5048698394 @default.
• W2316807518 creator A5052539291 @default.
• W2316807518 creator A5063647766 @default.
• W2316807518 date "2014-11-07" @default.
• W2316807518 modified "2023-09-25" @default.
• W2316807518 title "Surface Adsorption in Nonpolarizable Atomic Models" @default.
• W2316807518 cites W1885374044 @default.
• W2316807518 cites W1966078827 @default.
• W2316807518 cites W1966867657 @default.
• W2316807518 cites W1967997022 @default.
• W2316807518 cites W1968365826 @default.
• W2316807518 cites W1972175237 @default.
• W2316807518 cites W1975588280 @default.
• W2316807518 cites W1976499671 @default.
• W2316807518 cites W1979628588 @default.
• W2316807518 cites W1981225934 @default.
• W2316807518 cites W1984498082 @default.
• W2316807518 cites W1987726601 @default.
• W2316807518 cites W1988932107 @default.
• W2316807518 cites W1999248820 @default.
• W2316807518 cites W2000295176 @default.
• W2316807518 cites W2002236155 @default.
• W2316807518 cites W2002386039 @default.
• W2316807518 cites W2004089129 @default.
• W2316807518 cites W2005052719 @default.
• W2316807518 cites W2008722322 @default.
• W2316807518 cites W2009045668 @default.
• W2316807518 cites W2012175251 @default.
• W2316807518 cites W2012434595 @default.
• W2316807518 cites W2016133492 @default.
• W2316807518 cites W2018092253 @default.
• W2316807518 cites W2019465613 @default.
• W2316807518 cites W2019657469 @default.
• W2316807518 cites W2020140772 @default.
• W2316807518 cites W2021483101 @default.
• W2316807518 cites W2022045675 @default.
• W2316807518 cites W2022072508 @default.
• W2316807518 cites W2023426044 @default.
• W2316807518 cites W2024726841 @default.
• W2316807518 cites W2037159954 @default.
• W2316807518 cites W2043328360 @default.
• W2316807518 cites W2043809728 @default.
• W2316807518 cites W2046078275 @default.
• W2316807518 cites W2049039521 @default.
• W2316807518 cites W2049475242 @default.
• W2316807518 cites W2050066823 @default.
• W2316807518 cites W2054531267 @default.
• W2316807518 cites W2061992117 @default.
• W2316807518 cites W2063601288 @default.
• W2316807518 cites W2071827681 @default.
• W2316807518 cites W2073801789 @default.
• W2316807518 cites W2075320109 @default.
• W2316807518 cites W2076386997 @default.
• W2316807518 cites W2076712601 @default.
• W2316807518 cites W2078532137 @default.
• W2316807518 cites W2079182389 @default.
• W2316807518 cites W2085881993 @default.
• W2316807518 cites W2091097385 @default.
• W2316807518 cites W2092840240 @default.
• W2316807518 cites W2093293093 @default.
• W2316807518 cites W2098522652 @default.
• W2316807518 cites W2108285714 @default.
• W2316807518 cites W2112154906 @default.
• W2316807518 cites W2113282146 @default.
• W2316807518 cites W2121384727 @default.
• W2316807518 cites W2132697742 @default.
• W2316807518 cites W2135268695 @default.
• W2316807518 cites W2135964386 @default.
• W2316807518 cites W2136300852 @default.
• W2316807518 cites W2155554859 @default.
• W2316807518 cites W2166169036 @default.
• W2316807518 cites W2169429313 @default.
• W2316807518 cites W2330938767 @default.
• W2316807518 cites W2337120805 @default.
• W2316807518 cites W3103793254 @default.
• W2316807518 cites W3105164824 @default.
• W2316807518 doi "https://doi.org/10.1021/ct5005406" @default.
• W2316807518 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26583244" @default.
• W2316807518 hasPublicationYear "2014" @default.
• W2316807518 type Work @default.
• W2316807518 sameAs 2316807518 @default.
• W2316807518 citedByCount "4" @default.
• W2316807518 countsByYear W23168075182016 @default.
• W2316807518 countsByYear W23168075182018 @default.
• W2316807518 countsByYear W23168075182021 @default.
• W2316807518 crossrefType "journal-article" @default.
• W2316807518 hasAuthorship W2316807518A5012026163 @default.
• W2316807518 hasAuthorship W2316807518A5014198121 @default.
• W2316807518 hasAuthorship W2316807518A5048698394 @default.
• W2316807518 hasAuthorship W2316807518A5052539291 @default.
• W2316807518 hasAuthorship W2316807518A5063647766 @default.
• W2316807518 hasConcept C119049451 @default.
• W2316807518 hasConcept C121332964 @default.
• W2316807518 hasConcept C139287275 @default.

• next