FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2025111549> ?p ?o ?g. }

• W2025111549 endingPage "410" @default.
• W2025111549 startingPage "405" @default.
• W2025111549 abstract "B3LYP/6-31G** calculations were performed on the chlorination of NH3 by HOCl, considering explicit participation of zero, one, two, three and four water molecules. Detailed analysis of the free energy profiles shows the mechanism is water-assisted. Cl transfer from the O of HOCl to the N of NH3 is accompanied by proton transfers along a chain of hydrogen-bonded water molecules. Preferential stabilisation of the transition structure arises from cooperative fluctuations involving the hydrogen-bonded chain of water molecules. Calculations show solvent reorganization associated with proton translocations is coupled with Cl transfer in the vicinity of the transition structure." @default.
• W2025111549 created "2016-06-24" @default.
• W2025111549 creator A5029842852 @default.
• W2025111549 creator A5060484170 @default.
• W2025111549 creator A5071403925 @default.
• W2025111549 creator A5075005800 @default.
• W2025111549 date "2001-07-01" @default.
• W2025111549 modified "2023-10-13" @default.
• W2025111549 title "A B3LYP/6-31G** study on the chlorination of ammonia by hypochlorous acid" @default.
• W2025111549 cites W1963737263 @default.
• W2025111549 cites W1964378876 @default.
• W2025111549 cites W1971795506 @default.
• W2025111549 cites W1993027637 @default.
• W2025111549 cites W1999821529 @default.
• W2025111549 cites W2010605490 @default.
• W2025111549 cites W2012994260 @default.
• W2025111549 cites W2013858865 @default.
• W2025111549 cites W2020433929 @default.
• W2025111549 cites W2023271753 @default.
• W2025111549 cites W2026857965 @default.
• W2025111549 cites W2034543419 @default.
• W2025111549 cites W2038909126 @default.
• W2025111549 cites W2040460890 @default.
• W2025111549 cites W2043480529 @default.
• W2025111549 cites W2060346430 @default.
• W2025111549 cites W2062722076 @default.
• W2025111549 cites W2070207117 @default.
• W2025111549 cites W2083467029 @default.
• W2025111549 cites W2083890830 @default.
• W2025111549 cites W2090759554 @default.
• W2025111549 cites W2091718496 @default.
• W2025111549 cites W2127413733 @default.
• W2025111549 cites W2143981217 @default.
• W2025111549 cites W2330552064 @default.
• W2025111549 cites W2951919496 @default.
• W2025111549 cites W2952787971 @default.
• W2025111549 cites W4247262490 @default.
• W2025111549 doi "https://doi.org/10.1016/s0009-2614(01)00579-6" @default.
• W2025111549 hasPublicationYear "2001" @default.
• W2025111549 type Work @default.
• W2025111549 sameAs 2025111549 @default.
• W2025111549 citedByCount "24" @default.
• W2025111549 countsByYear W20251115492012 @default.
• W2025111549 countsByYear W20251115492014 @default.
• W2025111549 countsByYear W20251115492015 @default.
• W2025111549 countsByYear W20251115492016 @default.
• W2025111549 countsByYear W20251115492017 @default.
• W2025111549 countsByYear W20251115492018 @default.
• W2025111549 countsByYear W20251115492019 @default.
• W2025111549 countsByYear W20251115492021 @default.
• W2025111549 crossrefType "journal-article" @default.
• W2025111549 hasAuthorship W2025111549A5029842852 @default.
• W2025111549 hasAuthorship W2025111549A5060484170 @default.
• W2025111549 hasAuthorship W2025111549A5071403925 @default.
• W2025111549 hasAuthorship W2025111549A5075005800 @default.
• W2025111549 hasConcept C112887158 @default.
• W2025111549 hasConcept C121332964 @default.
• W2025111549 hasConcept C147597530 @default.
• W2025111549 hasConcept C159467904 @default.
• W2025111549 hasConcept C161790260 @default.
• W2025111549 hasConcept C178790620 @default.
• W2025111549 hasConcept C185592680 @default.
• W2025111549 hasConcept C2776382133 @default.
• W2025111549 hasConcept C2780471494 @default.
• W2025111549 hasConcept C2780908991 @default.
• W2025111549 hasConcept C32909587 @default.
• W2025111549 hasConcept C512968161 @default.
• W2025111549 hasConcept C54516573 @default.
• W2025111549 hasConcept C62520636 @default.
• W2025111549 hasConcept C75473681 @default.
• W2025111549 hasConcept C89031862 @default.
• W2025111549 hasConceptScore W2025111549C112887158 @default.
• W2025111549 hasConceptScore W2025111549C121332964 @default.
• W2025111549 hasConceptScore W2025111549C147597530 @default.
• W2025111549 hasConceptScore W2025111549C159467904 @default.
• W2025111549 hasConceptScore W2025111549C161790260 @default.
• W2025111549 hasConceptScore W2025111549C178790620 @default.
• W2025111549 hasConceptScore W2025111549C185592680 @default.
• W2025111549 hasConceptScore W2025111549C2776382133 @default.
• W2025111549 hasConceptScore W2025111549C2780471494 @default.
• W2025111549 hasConceptScore W2025111549C2780908991 @default.
• W2025111549 hasConceptScore W2025111549C32909587 @default.
• W2025111549 hasConceptScore W2025111549C512968161 @default.
• W2025111549 hasConceptScore W2025111549C54516573 @default.
• W2025111549 hasConceptScore W2025111549C62520636 @default.
• W2025111549 hasConceptScore W2025111549C75473681 @default.
• W2025111549 hasConceptScore W2025111549C89031862 @default.
• W2025111549 hasIssue "3-4" @default.
• W2025111549 hasLocation W20251115491 @default.
• W2025111549 hasOpenAccess W2025111549 @default.
• W2025111549 hasPrimaryLocation W20251115491 @default.
• W2025111549 hasRelatedWork W1999365716 @default.
• W2025111549 hasRelatedWork W2017334823 @default.
• W2025111549 hasRelatedWork W2020208584 @default.
• W2025111549 hasRelatedWork W2063393023 @default.
• W2025111549 hasRelatedWork W2071232251 @default.
• W2025111549 hasRelatedWork W2074290879 @default.
• W2025111549 hasRelatedWork W2260238061 @default.

• next