FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2044331466> ?p ?o ?g. }

• W2044331466 endingPage "5319" @default.
• W2044331466 startingPage "5307" @default.
• W2044331466 abstract "High level electronic structure calculations have been used to investigate the mechanism of hydrolysis of dinitrogen pentoxide in small neutral water clusters containing one to six solvating water molecules. The calculations clarify some of the current uncertainties in the hydrolysis mechanism. Increasing the size of the solvating water cluster leads to strong polarization and distortion of the N2O5 entity producing incipient (but not preexisting) NO2+, thus enhancing the electrophilicity of the nitrogen atom. The reaction mechanism involves nucleophilic attack of H2O on strongly ionized N2O5 followed by proton transfer to a neighboring water and does not involve the H2ONO2+NO3- ion pair. The solvating waters actively participate in the hydrolysis mechanism. The hydrolysis products, molecular nitric acid (HONO2) and ionized (H3O+NO3-) nitric acid are found to be stable in two different types of structures containing five and six water molecules. For the cluster containing six water molecules, which has a structure related to ice, N2O5 is hydrolyzed to yield H3O+NO3- and HONO2 with essentially no barrier. The calculations thus predict that the hydrolysis of N2O5 on PSC ice aerosols can proceed spontaneously in small neutral water clusters. Implications for heterogeneous stratospheric chemistry are discussed." @default.
• W2044331466 created "2016-06-24" @default.
• W2044331466 creator A5020254849 @default.
• W2044331466 creator A5026913459 @default.
• W2044331466 date "2000-05-16" @default.
• W2044331466 modified "2023-10-17" @default.
• W2044331466 title "Structure and Reactivity of Dinitrogen Pentoxide in Small Water Clusters Studied by Electronic Structure Calculations" @default.
• W2044331466 cites W1883116356 @default.
• W2044331466 cites W1964405329 @default.
• W2044331466 cites W1966269167 @default.
• W2044331466 cites W1966916295 @default.
• W2044331466 cites W1970744961 @default.
• W2044331466 cites W1973423110 @default.
• W2044331466 cites W1976111584 @default.
• W2044331466 cites W1976297111 @default.
• W2044331466 cites W1980069202 @default.
• W2044331466 cites W1982154699 @default.
• W2044331466 cites W1984614201 @default.
• W2044331466 cites W1984797322 @default.
• W2044331466 cites W1985898467 @default.
• W2044331466 cites W1986352851 @default.
• W2044331466 cites W1987799112 @default.
• W2044331466 cites W1991452898 @default.
• W2044331466 cites W1991662455 @default.
• W2044331466 cites W1994201908 @default.
• W2044331466 cites W1994408299 @default.
• W2044331466 cites W1996540206 @default.
• W2044331466 cites W1998056750 @default.
• W2044331466 cites W2002326105 @default.
• W2044331466 cites W2003785926 @default.
• W2044331466 cites W2003828025 @default.
• W2044331466 cites W2006436177 @default.
• W2044331466 cites W2007018151 @default.
• W2044331466 cites W2009293880 @default.
• W2044331466 cites W2010414608 @default.
• W2044331466 cites W2011564577 @default.
• W2044331466 cites W2017979245 @default.
• W2044331466 cites W2018201460 @default.
• W2044331466 cites W2023271753 @default.
• W2044331466 cites W2023546252 @default.
• W2044331466 cites W2027098518 @default.
• W2044331466 cites W2033449559 @default.
• W2044331466 cites W2035129406 @default.
• W2044331466 cites W2042678889 @default.
• W2044331466 cites W2043591064 @default.
• W2044331466 cites W2044940178 @default.
• W2044331466 cites W2045884906 @default.
• W2044331466 cites W2049037331 @default.
• W2044331466 cites W2049791136 @default.
• W2044331466 cites W2056712429 @default.
• W2044331466 cites W2058179313 @default.
• W2044331466 cites W2062011056 @default.
• W2044331466 cites W2067483994 @default.
• W2044331466 cites W2068426141 @default.
• W2044331466 cites W2068770364 @default.
• W2044331466 cites W2068940567 @default.
• W2044331466 cites W2069911827 @default.
• W2044331466 cites W2070956363 @default.
• W2044331466 cites W2072744212 @default.
• W2044331466 cites W2075876928 @default.
• W2044331466 cites W2076051267 @default.
• W2044331466 cites W2080392232 @default.
• W2044331466 cites W2081926166 @default.
• W2044331466 cites W2085911699 @default.
• W2044331466 cites W2088840029 @default.
• W2044331466 cites W2089570732 @default.
• W2044331466 cites W2092392807 @default.
• W2044331466 cites W2092558387 @default.
• W2044331466 cites W2093409290 @default.
• W2044331466 cites W2123193982 @default.
• W2044331466 cites W2132813122 @default.
• W2044331466 cites W2140979237 @default.
• W2044331466 cites W2143981217 @default.
• W2044331466 cites W2161764053 @default.
• W2044331466 cites W2315775206 @default.
• W2044331466 cites W248324452 @default.
• W2044331466 cites W2949605783 @default.
• W2044331466 cites W2950629251 @default.
• W2044331466 cites W2952149337 @default.
• W2044331466 cites W335858104 @default.
• W2044331466 doi "https://doi.org/10.1021/jp994279l" @default.
• W2044331466 hasPublicationYear "2000" @default.
• W2044331466 type Work @default.
• W2044331466 sameAs 2044331466 @default.
• W2044331466 citedByCount "25" @default.
• W2044331466 countsByYear W20443314662012 @default.
• W2044331466 countsByYear W20443314662014 @default.
• W2044331466 countsByYear W20443314662015 @default.
• W2044331466 countsByYear W20443314662017 @default.
• W2044331466 countsByYear W20443314662018 @default.
• W2044331466 countsByYear W20443314662019 @default.
• W2044331466 countsByYear W20443314662020 @default.
• W2044331466 countsByYear W20443314662021 @default.
• W2044331466 countsByYear W20443314662022 @default.
• W2044331466 countsByYear W20443314662023 @default.
• W2044331466 crossrefType "journal-article" @default.
• W2044331466 hasAuthorship W2044331466A5020254849 @default.
• W2044331466 hasAuthorship W2044331466A5026913459 @default.

• next