Matches in SemOpenAlex for { <https://semopenalex.org/work/W2024665961> ?p ?o ?g. }
Showing items 1 to 80 of
80
with 100 items per page.
- W2024665961 abstract "Abstract The supermolecular model NH3(HF)n, with n ranging from 3–5, is used to study the influence of solvent molecules on the ion pair formation between NH3 and HF. Typical oligomer structures and their energies were determined at the MP2(full)/6–31+G∗∗ ab initio level. Contact ion pair formation was found for n = 3 in competition with a cyclic molecular complex. For n = 4 onwards, all isomers represent either ‘contact’ or ‘solvent separated’ ion pairs. Bidentate NH4+ coordination in NH4+F− remains unfavorable in energy even if it is stabilized by two additional (HF)2 bridges between the residual coordination sites of the ionic subunits." @default.
- W2024665961 created "2016-06-24" @default.
- W2024665961 creator A5039238459 @default.
- W2024665961 date "1998-03-01" @default.
- W2024665961 modified "2023-09-27" @default.
- W2024665961 title "Ion pair formation modelled by NH3(HF)n (n = 3–5)" @default.
- W2024665961 cites W1558320072 @default.
- W2024665961 cites W1968975402 @default.
- W2024665961 cites W1969773061 @default.
- W2024665961 cites W1999746097 @default.
- W2024665961 cites W2021444921 @default.
- W2024665961 cites W2050536666 @default.
- W2024665961 cites W2050945075 @default.
- W2024665961 cites W2060529070 @default.
- W2024665961 cites W2072126663 @default.
- W2024665961 cites W2126410713 @default.
- W2024665961 cites W2148941593 @default.
- W2024665961 doi "https://doi.org/10.1016/s0166-1280(97)00341-2" @default.
- W2024665961 hasPublicationYear "1998" @default.
- W2024665961 type Work @default.
- W2024665961 sameAs 2024665961 @default.
- W2024665961 citedByCount "3" @default.
- W2024665961 countsByYear W20246659612019 @default.
- W2024665961 crossrefType "journal-article" @default.
- W2024665961 hasAuthorship W2024665961A5039238459 @default.
- W2024665961 hasConcept C115624301 @default.
- W2024665961 hasConcept C145148216 @default.
- W2024665961 hasConcept C147597530 @default.
- W2024665961 hasConcept C178516000 @default.
- W2024665961 hasConcept C178790620 @default.
- W2024665961 hasConcept C183971685 @default.
- W2024665961 hasConcept C185592680 @default.
- W2024665961 hasConcept C188027245 @default.
- W2024665961 hasConcept C2182769 @default.
- W2024665961 hasConcept C2780471494 @default.
- W2024665961 hasConcept C2780642029 @default.
- W2024665961 hasConcept C2781442258 @default.
- W2024665961 hasConcept C32909587 @default.
- W2024665961 hasConcept C8010536 @default.
- W2024665961 hasConceptScore W2024665961C115624301 @default.
- W2024665961 hasConceptScore W2024665961C145148216 @default.
- W2024665961 hasConceptScore W2024665961C147597530 @default.
- W2024665961 hasConceptScore W2024665961C178516000 @default.
- W2024665961 hasConceptScore W2024665961C178790620 @default.
- W2024665961 hasConceptScore W2024665961C183971685 @default.
- W2024665961 hasConceptScore W2024665961C185592680 @default.
- W2024665961 hasConceptScore W2024665961C188027245 @default.
- W2024665961 hasConceptScore W2024665961C2182769 @default.
- W2024665961 hasConceptScore W2024665961C2780471494 @default.
- W2024665961 hasConceptScore W2024665961C2780642029 @default.
- W2024665961 hasConceptScore W2024665961C2781442258 @default.
- W2024665961 hasConceptScore W2024665961C32909587 @default.
- W2024665961 hasConceptScore W2024665961C8010536 @default.
- W2024665961 hasLocation W20246659611 @default.
- W2024665961 hasOpenAccess W2024665961 @default.
- W2024665961 hasPrimaryLocation W20246659611 @default.
- W2024665961 hasRelatedWork W1964262598 @default.
- W2024665961 hasRelatedWork W1964981843 @default.
- W2024665961 hasRelatedWork W1965425872 @default.
- W2024665961 hasRelatedWork W1981053996 @default.
- W2024665961 hasRelatedWork W1989853564 @default.
- W2024665961 hasRelatedWork W1990257662 @default.
- W2024665961 hasRelatedWork W1995659170 @default.
- W2024665961 hasRelatedWork W2018885378 @default.
- W2024665961 hasRelatedWork W2049193896 @default.
- W2024665961 hasRelatedWork W2049489553 @default.
- W2024665961 hasRelatedWork W2052637966 @default.
- W2024665961 hasRelatedWork W2064296165 @default.
- W2024665961 hasRelatedWork W2076157417 @default.
- W2024665961 hasRelatedWork W2084544366 @default.
- W2024665961 hasRelatedWork W2101796234 @default.
- W2024665961 hasRelatedWork W2132507573 @default.
- W2024665961 hasRelatedWork W2148445683 @default.
- W2024665961 hasRelatedWork W2360683649 @default.
- W2024665961 hasRelatedWork W2575336624 @default.
- W2024665961 hasRelatedWork W2611472761 @default.
- W2024665961 isParatext "false" @default.
- W2024665961 isRetracted "false" @default.
- W2024665961 magId "2024665961" @default.
- W2024665961 workType "article" @default.