Matches in SemOpenAlex for { <https://semopenalex.org/work/W2100024360> ?p ?o ?g. }
- W2100024360 endingPage "322" @default.
- W2100024360 startingPage "301" @default.
- W2100024360 abstract "The issue of the acid ionization of HCl at the surface of stratospheric ice particles, which is relevant in connection with Antarctic stratospheric ozone depletion, is studied theoretically. This study extends that of Gertner and Hynes (Science, 1996, 271, 1563) by examination of 12 new sites and by quantization of the transferring proton's nuclear motion. Fourteen initial adsorption sites for the HCl are selected via arguments based on HCl incorporation mechanisms for a dynamic ice surface, for the basal-plane and prism face surfaces of ice. Acid ionization at 190 K in those sites is examined via combined electronic structure and classical molecular dynamics methodologies to estimate the reaction Gibbs energies and barriers. In each case examined, the acid ionization step of proton transfer from the HCl to a neighboring water molecule is estimated to be thermodynamically feasible and kinetically rapid." @default.
- W2100024360 created "2016-06-24" @default.
- W2100024360 creator A5000113075 @default.
- W2100024360 creator A5030710461 @default.
- W2100024360 date "1998-01-01" @default.
- W2100024360 modified "2023-10-16" @default.
- W2100024360 title "Model molecular dynamics simulation of hydrochloric acid ionization at the surface of stratospheric ice" @default.
- W2100024360 cites W1963595272 @default.
- W2100024360 cites W1963697313 @default.
- W2100024360 cites W1963920531 @default.
- W2100024360 cites W1964542829 @default.
- W2100024360 cites W1966269167 @default.
- W2100024360 cites W1975834451 @default.
- W2100024360 cites W1976499671 @default.
- W2100024360 cites W1977425682 @default.
- W2100024360 cites W1980210873 @default.
- W2100024360 cites W1981880184 @default.
- W2100024360 cites W1984797322 @default.
- W2100024360 cites W1986352851 @default.
- W2100024360 cites W1991311859 @default.
- W2100024360 cites W1991662455 @default.
- W2100024360 cites W1991743989 @default.
- W2100024360 cites W1993013485 @default.
- W2100024360 cites W1994839412 @default.
- W2100024360 cites W1998587669 @default.
- W2100024360 cites W2000060096 @default.
- W2100024360 cites W2003828025 @default.
- W2100024360 cites W2006787354 @default.
- W2100024360 cites W2013159231 @default.
- W2100024360 cites W2014873059 @default.
- W2100024360 cites W2016218960 @default.
- W2100024360 cites W2021123286 @default.
- W2100024360 cites W2022120463 @default.
- W2100024360 cites W2022650217 @default.
- W2100024360 cites W2022950330 @default.
- W2100024360 cites W2023546252 @default.
- W2100024360 cites W2028053014 @default.
- W2100024360 cites W2029042254 @default.
- W2100024360 cites W2029270491 @default.
- W2100024360 cites W2029931272 @default.
- W2100024360 cites W2033990154 @default.
- W2100024360 cites W2034545988 @default.
- W2100024360 cites W2043591064 @default.
- W2100024360 cites W2046412723 @default.
- W2100024360 cites W2054126013 @default.
- W2100024360 cites W2056712429 @default.
- W2100024360 cites W2058179313 @default.
- W2100024360 cites W2058363175 @default.
- W2100024360 cites W2061355466 @default.
- W2100024360 cites W2063349272 @default.
- W2100024360 cites W2065894345 @default.
- W2100024360 cites W2068770364 @default.
- W2100024360 cites W2068940567 @default.
- W2100024360 cites W2070218050 @default.
- W2100024360 cites W2070664191 @default.
- W2100024360 cites W2071342308 @default.
- W2100024360 cites W2073405465 @default.
- W2100024360 cites W2075876928 @default.
- W2100024360 cites W2080503082 @default.
- W2100024360 cites W2086293868 @default.
- W2100024360 cites W2087047168 @default.
- W2100024360 cites W2088162927 @default.
- W2100024360 cites W2092194749 @default.
- W2100024360 cites W2092392807 @default.
- W2100024360 cites W2093409290 @default.
- W2100024360 cites W2093519092 @default.
- W2100024360 cites W2140151763 @default.
- W2100024360 cites W2165412911 @default.
- W2100024360 cites W2168033829 @default.
- W2100024360 cites W289671557 @default.
- W2100024360 cites W2950629251 @default.
- W2100024360 cites W33492437 @default.
- W2100024360 cites W47909243 @default.
- W2100024360 doi "https://doi.org/10.1039/a801721b" @default.
- W2100024360 hasPublicationYear "1998" @default.
- W2100024360 type Work @default.
- W2100024360 sameAs 2100024360 @default.
- W2100024360 citedByCount "103" @default.
- W2100024360 countsByYear W21000243602012 @default.
- W2100024360 countsByYear W21000243602014 @default.
- W2100024360 countsByYear W21000243602015 @default.
- W2100024360 countsByYear W21000243602016 @default.
- W2100024360 countsByYear W21000243602017 @default.
- W2100024360 countsByYear W21000243602018 @default.
- W2100024360 countsByYear W21000243602019 @default.
- W2100024360 countsByYear W21000243602021 @default.
- W2100024360 crossrefType "journal-article" @default.
- W2100024360 hasAuthorship W2100024360A5000113075 @default.
- W2100024360 hasAuthorship W2100024360A5030710461 @default.
- W2100024360 hasConcept C121332964 @default.
- W2100024360 hasConcept C127313418 @default.
- W2100024360 hasConcept C145148216 @default.
- W2100024360 hasConcept C147597530 @default.
- W2100024360 hasConcept C159467904 @default.
- W2100024360 hasConcept C178790620 @default.
- W2100024360 hasConcept C179104552 @default.
- W2100024360 hasConcept C185592680 @default.
- W2100024360 hasConcept C1965285 @default.