Matches in SemOpenAlex for { <https://semopenalex.org/work/W4308374809> ?p ?o ?g. }
- W4308374809 endingPage "113932" @default.
- W4308374809 startingPage "113932" @default.
- W4308374809 abstract "To compare the ion–molecule reaction mechanism of CHCl− with HCHO and H2O, the DFT-BHandHLYP level of theory with the aug-cc-pVDZ basis set was used. Our theoretical findings show that the H-abstraction reaction pattern identified pathway 5 as the preferred pathway for the reactions of CHCl− + H2O. When the direct H- and O-abstraction data are examined, the intramolecular SN2 reaction pattern appears to be the preferred pathway for the CHCl− + HCHO reaction. The reaction between CHCl− and H2O should be less competitive based on the principal reactive pathways of CHCl− + HCHO. As a result, in the atmospheric process the reaction of HCHO with CHCl− may not be appreciably accelerated by the breakdown of HCHO with and without the H2O molecule." @default.
- W4308374809 created "2022-11-11" @default.
- W4308374809 creator A5015802094 @default.
- W4308374809 creator A5028788754 @default.
- W4308374809 creator A5042055947 @default.
- W4308374809 creator A5051463252 @default.
- W4308374809 creator A5059188854 @default.
- W4308374809 creator A5062863345 @default.
- W4308374809 date "2022-11-01" @default.
- W4308374809 modified "2023-09-26" @default.
- W4308374809 title "Reaction of CHCl− with HCHO and H2O: A theoretical study" @default.
- W4308374809 cites W1485111979 @default.
- W4308374809 cites W1970048887 @default.
- W4308374809 cites W1975755749 @default.
- W4308374809 cites W1982630035 @default.
- W4308374809 cites W1985800957 @default.
- W4308374809 cites W1993480050 @default.
- W4308374809 cites W1994382802 @default.
- W4308374809 cites W2004226047 @default.
- W4308374809 cites W2023271753 @default.
- W4308374809 cites W2024447593 @default.
- W4308374809 cites W2031856796 @default.
- W4308374809 cites W2034556408 @default.
- W4308374809 cites W2051667917 @default.
- W4308374809 cites W2067102802 @default.
- W4308374809 cites W2068298244 @default.
- W4308374809 cites W2074949129 @default.
- W4308374809 cites W2087193386 @default.
- W4308374809 cites W2186049380 @default.
- W4308374809 cites W2205193079 @default.
- W4308374809 cites W2248272129 @default.
- W4308374809 cites W2320344305 @default.
- W4308374809 cites W2324213051 @default.
- W4308374809 cites W2327820628 @default.
- W4308374809 cites W2332412158 @default.
- W4308374809 cites W2472147474 @default.
- W4308374809 cites W2526063166 @default.
- W4308374809 cites W2560970887 @default.
- W4308374809 cites W2597706922 @default.
- W4308374809 cites W2615611398 @default.
- W4308374809 cites W2765638148 @default.
- W4308374809 cites W2769560688 @default.
- W4308374809 cites W2774901767 @default.
- W4308374809 cites W2805794071 @default.
- W4308374809 cites W2808064035 @default.
- W4308374809 cites W2871576897 @default.
- W4308374809 cites W2897440850 @default.
- W4308374809 cites W2899172689 @default.
- W4308374809 cites W2910522776 @default.
- W4308374809 cites W2926036315 @default.
- W4308374809 cites W2983011104 @default.
- W4308374809 cites W2989626021 @default.
- W4308374809 cites W3004727675 @default.
- W4308374809 cites W3018215607 @default.
- W4308374809 cites W3046946196 @default.
- W4308374809 cites W3084079350 @default.
- W4308374809 cites W3096784920 @default.
- W4308374809 cites W3134113148 @default.
- W4308374809 cites W3151583427 @default.
- W4308374809 cites W3182896105 @default.
- W4308374809 cites W3205894388 @default.
- W4308374809 cites W3208134792 @default.
- W4308374809 cites W3209698557 @default.
- W4308374809 cites W4205166272 @default.
- W4308374809 cites W4225398078 @default.
- W4308374809 cites W4240035468 @default.
- W4308374809 cites W4283275031 @default.
- W4308374809 cites W4285043963 @default.
- W4308374809 cites W3105727676 @default.
- W4308374809 doi "https://doi.org/10.1016/j.comptc.2022.113932" @default.
- W4308374809 hasPublicationYear "2022" @default.
- W4308374809 type Work @default.
- W4308374809 citedByCount "0" @default.
- W4308374809 crossrefType "journal-article" @default.
- W4308374809 hasAuthorship W4308374809A5015802094 @default.
- W4308374809 hasAuthorship W4308374809A5028788754 @default.
- W4308374809 hasAuthorship W4308374809A5042055947 @default.
- W4308374809 hasAuthorship W4308374809A5051463252 @default.
- W4308374809 hasAuthorship W4308374809A5059188854 @default.
- W4308374809 hasAuthorship W4308374809A5062863345 @default.
- W4308374809 hasBestOaLocation W43083748091 @default.
- W4308374809 hasConcept C147597530 @default.
- W4308374809 hasConcept C152365726 @default.
- W4308374809 hasConcept C161790260 @default.
- W4308374809 hasConcept C178790620 @default.
- W4308374809 hasConcept C185592680 @default.
- W4308374809 hasConcept C32909587 @default.
- W4308374809 hasConcept C65024703 @default.
- W4308374809 hasConcept C65956243 @default.
- W4308374809 hasConcept C71240020 @default.
- W4308374809 hasConcept C75079739 @default.
- W4308374809 hasConcept C75473681 @default.
- W4308374809 hasConcept C96765332 @default.
- W4308374809 hasConceptScore W4308374809C147597530 @default.
- W4308374809 hasConceptScore W4308374809C152365726 @default.
- W4308374809 hasConceptScore W4308374809C161790260 @default.
- W4308374809 hasConceptScore W4308374809C178790620 @default.
- W4308374809 hasConceptScore W4308374809C185592680 @default.