Matches in SemOpenAlex for { <https://semopenalex.org/work/W2330650670> ?p ?o ?g. }
- W2330650670 endingPage "13716" @default.
- W2330650670 startingPage "13704" @default.
- W2330650670 abstract "The surface structure of aqueous sulfuric acid solution at 0.02x (x is the mole fraction) concentration is investigated by molecular dynamics (MD) simulation with newly developed flexible and polarizable molecular models. The models are applied to calculate the SFG spectrum on the assumption that the acid dissociation of sulfuric acid at the surface is the same as in the bulk. The calculated SFG spectrum well reproduces the experimental one, indicating that the assumption on the acid dissociation is valid in a relatively low concentration range. The density profiles of the constituent ions at the surface region show distinct surface preference in the order of the hydronium cation, bisulfate anion, and sulfate dianion, which thereby forms an electric double layer and strongly perturbs the orientational structure of surface water. The enhancement of the SFG intensity at the hydrogen-bonding OH stretching region and the depletion at the dangling (free) OH region are elucidated from the interfacial structure." @default.
- W2330650670 created "2016-06-24" @default.
- W2330650670 creator A5022087685 @default.
- W2330650670 creator A5051016526 @default.
- W2330650670 date "2011-06-22" @default.
- W2330650670 modified "2023-10-17" @default.
- W2330650670 title "Molecular Dynamics Simulation of Sum Frequency Generation Spectra of Aqueous Sulfuric Acid Solution" @default.
- W2330650670 cites W1577524422 @default.
- W2330650670 cites W1969298331 @default.
- W2330650670 cites W1972280915 @default.
- W2330650670 cites W1973482687 @default.
- W2330650670 cites W1973702883 @default.
- W2330650670 cites W1974049961 @default.
- W2330650670 cites W1979317008 @default.
- W2330650670 cites W1980820781 @default.
- W2330650670 cites W1982385940 @default.
- W2330650670 cites W1988817555 @default.
- W2330650670 cites W1988833500 @default.
- W2330650670 cites W1990491972 @default.
- W2330650670 cites W1990955418 @default.
- W2330650670 cites W1991747894 @default.
- W2330650670 cites W1993051689 @default.
- W2330650670 cites W1993077801 @default.
- W2330650670 cites W1996144996 @default.
- W2330650670 cites W1996188482 @default.
- W2330650670 cites W1999575094 @default.
- W2330650670 cites W2001724184 @default.
- W2330650670 cites W2001846196 @default.
- W2330650670 cites W2003348801 @default.
- W2330650670 cites W2003564657 @default.
- W2330650670 cites W2005301064 @default.
- W2330650670 cites W2009198344 @default.
- W2330650670 cites W2011471079 @default.
- W2330650670 cites W2011768538 @default.
- W2330650670 cites W2012325954 @default.
- W2330650670 cites W2013107255 @default.
- W2330650670 cites W2014286146 @default.
- W2330650670 cites W2015656186 @default.
- W2330650670 cites W2016426910 @default.
- W2330650670 cites W2017297771 @default.
- W2330650670 cites W2017835622 @default.
- W2330650670 cites W2018399938 @default.
- W2330650670 cites W2021904660 @default.
- W2330650670 cites W2026174057 @default.
- W2330650670 cites W2026745806 @default.
- W2330650670 cites W2029190682 @default.
- W2330650670 cites W2029289207 @default.
- W2330650670 cites W2030601662 @default.
- W2330650670 cites W2034524949 @default.
- W2330650670 cites W2035266068 @default.
- W2330650670 cites W2035701499 @default.
- W2330650670 cites W2038694201 @default.
- W2330650670 cites W2039052363 @default.
- W2330650670 cites W2041388413 @default.
- W2330650670 cites W2044637063 @default.
- W2330650670 cites W2052456170 @default.
- W2330650670 cites W2053423908 @default.
- W2330650670 cites W2055176488 @default.
- W2330650670 cites W2058454486 @default.
- W2330650670 cites W2061455408 @default.
- W2330650670 cites W2069006374 @default.
- W2330650670 cites W2071467656 @default.
- W2330650670 cites W2078826898 @default.
- W2330650670 cites W2079513403 @default.
- W2330650670 cites W2083305245 @default.
- W2330650670 cites W2083835376 @default.
- W2330650670 cites W2085676867 @default.
- W2330650670 cites W2088960562 @default.
- W2330650670 cites W2088964824 @default.
- W2330650670 cites W2091601188 @default.
- W2330650670 cites W2093070673 @default.
- W2330650670 cites W2094480359 @default.
- W2330650670 cites W2106523819 @default.
- W2330650670 cites W2111275491 @default.
- W2330650670 cites W2113465240 @default.
- W2330650670 cites W2115706239 @default.
- W2330650670 cites W2116795833 @default.
- W2330650670 cites W2132255468 @default.
- W2330650670 cites W2135240384 @default.
- W2330650670 cites W2137629913 @default.
- W2330650670 cites W2154389667 @default.
- W2330650670 cites W2171898659 @default.
- W2330650670 cites W2257452350 @default.
- W2330650670 cites W2470871171 @default.
- W2330650670 cites W4240035468 @default.
- W2330650670 doi "https://doi.org/10.1021/jp200269k" @default.
- W2330650670 hasPublicationYear "2011" @default.
- W2330650670 type Work @default.
- W2330650670 sameAs 2330650670 @default.
- W2330650670 citedByCount "44" @default.
- W2330650670 countsByYear W23306506702012 @default.
- W2330650670 countsByYear W23306506702013 @default.
- W2330650670 countsByYear W23306506702014 @default.
- W2330650670 countsByYear W23306506702015 @default.
- W2330650670 countsByYear W23306506702016 @default.
- W2330650670 countsByYear W23306506702017 @default.
- W2330650670 countsByYear W23306506702018 @default.
- W2330650670 countsByYear W23306506702019 @default.