Matches in SemOpenAlex for { <https://semopenalex.org/work/W1996861117> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W1996861117 endingPage "2462" @default.
- W1996861117 startingPage "2457" @default.
- W1996861117 abstract "The changes in the vibrational characteristics characterizing the dimerization of nitric acid have been investigated by ab initio calculations at the MP2 level, with 6-31G(d,p) and 6-31+G(d,p) basis sets, and B3LYP/6-31G(d,p) calculations. The most consistent agreement between the computed values of the frequency shifts for the planar fully symmetric structure (2A) and those experimentally observed suggests that this structure is preferred. It was established that the most sensitive to the complexation is the stretching OH vibration. The values of the frequency shift (−306 cm−1) is indicative for the formation of the relatively strong hydrogen bonds. The calculations predict an increase of the infrared intensity of the stretching OH vibration in the nitric acid dimer more than 26 times." @default.
- W1996861117 created "2016-06-24" @default.
- W1996861117 creator A5002957235 @default.
- W1996861117 date "2001-10-01" @default.
- W1996861117 modified "2023-10-16" @default.
- W1996861117 title "Ab initio study of the vibrational spectra of the hydrogen-bonded nitric acid dimer" @default.
- W1996861117 cites W1966810095 @default.
- W1996861117 cites W1979731770 @default.
- W1996861117 cites W1990816354 @default.
- W1996861117 cites W1994974750 @default.
- W1996861117 cites W2009979566 @default.
- W1996861117 cites W2021806061 @default.
- W1996861117 cites W2076461319 @default.
- W1996861117 cites W2082282360 @default.
- W1996861117 cites W2083205926 @default.
- W1996861117 cites W2094808903 @default.
- W1996861117 cites W2168467291 @default.
- W1996861117 cites W2184444082 @default.
- W1996861117 cites W422196256 @default.
- W1996861117 cites W616064314 @default.
- W1996861117 doi "https://doi.org/10.1016/s1386-1425(01)00419-x" @default.
- W1996861117 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11767839" @default.
- W1996861117 hasPublicationYear "2001" @default.
- W1996861117 type Work @default.
- W1996861117 sameAs 1996861117 @default.
- W1996861117 citedByCount "12" @default.
- W1996861117 countsByYear W19968611172017 @default.
- W1996861117 crossrefType "journal-article" @default.
- W1996861117 hasAuthorship W1996861117A5002957235 @default.
- W1996861117 hasConcept C112887158 @default.
- W1996861117 hasConcept C120665830 @default.
- W1996861117 hasConcept C121332964 @default.
- W1996861117 hasConcept C1276947 @default.
- W1996861117 hasConcept C147597530 @default.
- W1996861117 hasConcept C153642686 @default.
- W1996861117 hasConcept C158355884 @default.
- W1996861117 hasConcept C178790620 @default.
- W1996861117 hasConcept C179104552 @default.
- W1996861117 hasConcept C183971685 @default.
- W1996861117 hasConcept C185592680 @default.
- W1996861117 hasConcept C24123453 @default.
- W1996861117 hasConcept C2778504605 @default.
- W1996861117 hasConcept C2779546866 @default.
- W1996861117 hasConcept C2781442258 @default.
- W1996861117 hasConcept C32909587 @default.
- W1996861117 hasConcept C41999313 @default.
- W1996861117 hasConcept C4839761 @default.
- W1996861117 hasConcept C512968161 @default.
- W1996861117 hasConcept C8010536 @default.
- W1996861117 hasConceptScore W1996861117C112887158 @default.
- W1996861117 hasConceptScore W1996861117C120665830 @default.
- W1996861117 hasConceptScore W1996861117C121332964 @default.
- W1996861117 hasConceptScore W1996861117C1276947 @default.
- W1996861117 hasConceptScore W1996861117C147597530 @default.
- W1996861117 hasConceptScore W1996861117C153642686 @default.
- W1996861117 hasConceptScore W1996861117C158355884 @default.
- W1996861117 hasConceptScore W1996861117C178790620 @default.
- W1996861117 hasConceptScore W1996861117C179104552 @default.
- W1996861117 hasConceptScore W1996861117C183971685 @default.
- W1996861117 hasConceptScore W1996861117C185592680 @default.
- W1996861117 hasConceptScore W1996861117C24123453 @default.
- W1996861117 hasConceptScore W1996861117C2778504605 @default.
- W1996861117 hasConceptScore W1996861117C2779546866 @default.
- W1996861117 hasConceptScore W1996861117C2781442258 @default.
- W1996861117 hasConceptScore W1996861117C32909587 @default.
- W1996861117 hasConceptScore W1996861117C41999313 @default.
- W1996861117 hasConceptScore W1996861117C4839761 @default.
- W1996861117 hasConceptScore W1996861117C512968161 @default.
- W1996861117 hasConceptScore W1996861117C8010536 @default.
- W1996861117 hasIssue "12" @default.
- W1996861117 hasLocation W19968611171 @default.
- W1996861117 hasLocation W19968611172 @default.
- W1996861117 hasOpenAccess W1996861117 @default.
- W1996861117 hasPrimaryLocation W19968611171 @default.
- W1996861117 hasRelatedWork W1979505683 @default.
- W1996861117 hasRelatedWork W1993950703 @default.
- W1996861117 hasRelatedWork W1996861117 @default.
- W1996861117 hasRelatedWork W2007188170 @default.
- W1996861117 hasRelatedWork W2010822800 @default.
- W1996861117 hasRelatedWork W2042106902 @default.
- W1996861117 hasRelatedWork W2049182134 @default.
- W1996861117 hasRelatedWork W2073365137 @default.
- W1996861117 hasRelatedWork W2080262518 @default.
- W1996861117 hasRelatedWork W4255258597 @default.
- W1996861117 hasVolume "57" @default.
- W1996861117 isParatext "false" @default.
- W1996861117 isRetracted "false" @default.
- W1996861117 magId "1996861117" @default.
- W1996861117 workType "article" @default.