Matches in SemOpenAlex for { <https://semopenalex.org/work/W2313013529> ?p ?o ?g. }
- W2313013529 endingPage "1055" @default.
- W2313013529 startingPage "1045" @default.
- W2313013529 abstract "We investigate the hydration structure and water/ion dynamics about complex anions using a revised platinum group metal chloro-anion force field. Nanosecond atomistic molecular dynamics simulations were performed for the platinum group metal chloro-anion complexes. This investigation makes the first attempt at describing diffusion trends of polyatomic complex anions with counterions such as these using both hydrodynamic and dielectric friction properties of the anion solution. The transition metal anion complex diffusion rates are shown to be correlated to their first solvent shell radial distribution function peaks, their mean water residence times, and their solvation volumes as calculated by Voronoi tessellation of the simulation cell. The general trend is for slower diffusion rates to result from larger hydration shell volumes. This diffusion rate trend calculated from Stokes’ law is best described using the solventberg approach with well-chosen effective solvated radii. However, to improve the diffusion constant estimates when they are compared with those calculated from computer simulations, the dielectric friction is required." @default.
- W2313013529 created "2016-06-24" @default.
- W2313013529 creator A5006872896 @default.
- W2313013529 creator A5011734060 @default.
- W2313013529 creator A5023988960 @default.
- W2313013529 date "2011-01-20" @default.
- W2313013529 modified "2023-09-26" @default.
- W2313013529 title "Using Solvent Binding and Dielectric Friction To Interpret the Hydration Behavior of Complex Anions" @default.
- W2313013529 cites W1965365237 @default.
- W2313013529 cites W1970470789 @default.
- W2313013529 cites W1973779725 @default.
- W2313013529 cites W1974158537 @default.
- W2313013529 cites W1975588280 @default.
- W2313013529 cites W1976369642 @default.
- W2313013529 cites W1976499671 @default.
- W2313013529 cites W1979726350 @default.
- W2313013529 cites W1980958035 @default.
- W2313013529 cites W1980995972 @default.
- W2313013529 cites W1981225934 @default.
- W2313013529 cites W1984869419 @default.
- W2313013529 cites W2003722702 @default.
- W2313013529 cites W2003736274 @default.
- W2313013529 cites W2009565067 @default.
- W2313013529 cites W2011107212 @default.
- W2313013529 cites W2016426564 @default.
- W2313013529 cites W2019095119 @default.
- W2313013529 cites W2023271753 @default.
- W2313013529 cites W2024132361 @default.
- W2313013529 cites W2025768791 @default.
- W2313013529 cites W2027408247 @default.
- W2313013529 cites W2030464285 @default.
- W2313013529 cites W2033302151 @default.
- W2313013529 cites W2035687084 @default.
- W2313013529 cites W2038533471 @default.
- W2313013529 cites W2042071049 @default.
- W2313013529 cites W2042288319 @default.
- W2313013529 cites W2044490585 @default.
- W2313013529 cites W2046713036 @default.
- W2313013529 cites W2052737939 @default.
- W2313013529 cites W2056211855 @default.
- W2313013529 cites W2057653269 @default.
- W2313013529 cites W2058073387 @default.
- W2313013529 cites W2060079863 @default.
- W2313013529 cites W2072197874 @default.
- W2313013529 cites W2081948633 @default.
- W2313013529 cites W2082353137 @default.
- W2313013529 cites W2083356447 @default.
- W2313013529 cites W2084128514 @default.
- W2313013529 cites W2086145503 @default.
- W2313013529 cites W2086381852 @default.
- W2313013529 cites W2089021931 @default.
- W2313013529 cites W2090043479 @default.
- W2313013529 cites W2092413127 @default.
- W2313013529 cites W2132262459 @default.
- W2313013529 cites W2139567539 @default.
- W2313013529 cites W2143981217 @default.
- W2313013529 cites W2149760361 @default.
- W2313013529 cites W2151334055 @default.
- W2313013529 cites W2162166182 @default.
- W2313013529 cites W2479917738 @default.
- W2313013529 cites W4239950509 @default.
- W2313013529 cites W4290802914 @default.
- W2313013529 doi "https://doi.org/10.1021/jp109976p" @default.
- W2313013529 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21250733" @default.
- W2313013529 hasPublicationYear "2011" @default.
- W2313013529 type Work @default.
- W2313013529 sameAs 2313013529 @default.
- W2313013529 citedByCount "12" @default.
- W2313013529 countsByYear W23130135292012 @default.
- W2313013529 countsByYear W23130135292013 @default.
- W2313013529 countsByYear W23130135292014 @default.
- W2313013529 countsByYear W23130135292016 @default.
- W2313013529 countsByYear W23130135292018 @default.
- W2313013529 countsByYear W23130135292021 @default.
- W2313013529 countsByYear W23130135292022 @default.
- W2313013529 countsByYear W23130135292023 @default.
- W2313013529 crossrefType "journal-article" @default.
- W2313013529 hasAuthorship W2313013529A5006872896 @default.
- W2313013529 hasAuthorship W2313013529A5011734060 @default.
- W2313013529 hasAuthorship W2313013529A5023988960 @default.
- W2313013529 hasConcept C121332964 @default.
- W2313013529 hasConcept C133386390 @default.
- W2313013529 hasConcept C145148216 @default.
- W2313013529 hasConcept C147597530 @default.
- W2313013529 hasConcept C147789679 @default.
- W2313013529 hasConcept C148093993 @default.
- W2313013529 hasConcept C149823470 @default.
- W2313013529 hasConcept C159467904 @default.
- W2313013529 hasConcept C178790620 @default.
- W2313013529 hasConcept C185592680 @default.
- W2313013529 hasConcept C192562407 @default.
- W2313013529 hasConcept C34814092 @default.
- W2313013529 hasConcept C49040817 @default.
- W2313013529 hasConcept C59593255 @default.
- W2313013529 hasConcept C69357855 @default.
- W2313013529 hasConcept C97355855 @default.
- W2313013529 hasConceptScore W2313013529C121332964 @default.
- W2313013529 hasConceptScore W2313013529C133386390 @default.