FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2010517417> ?p ?o ?g. }

• W2010517417 endingPage "352" @default.
• W2010517417 startingPage "348" @default.
• W2010517417 abstract "Ab initio quadrupole coupling constants χ(D), χ(14N) for deuterium and nitrogen nuclei are obtained for the sequence of linear (HCN)n clusters (up to n=6) at the RHF/6-31+G* level, complementing previous studies of n-dependent ‘‘cooperative’’ effects in these C–H...N hydrogen-bonded species. For the dimer and trimer, the theoretical values are compared with experimental equilibrium values of Gutowsky and co-workers and found to successfully reproduce both the magnitudes and patterns of measured shifts. For larger (HCN)n clusters, the n-dependent trends in χ(D), χ(14N) appear to be correlated with cooperativity effects found previously (binding energies, geometrical parameters, dipole moments, ir frequencies and intensities). This suggests that quadrupole coupling measurements can provide a useful probe of cooperative H-bonding phenomena in gaseous and condensed media." @default.
• W2010517417 created "2016-06-24" @default.
• W2010517417 creator A5007083472 @default.
• W2010517417 creator A5020871683 @default.
• W2010517417 creator A5028194420 @default.
• W2010517417 date "1995-07-01" @default.
• W2010517417 modified "2023-10-10" @default.
• W2010517417 title "Quadrupole coupling constants in linear (HCN)<i>n</i> clusters: Theoretical and experimental evidence for cooperativity effects in C–H⋅⋅⋅N hydrogen bonding" @default.
• W2010517417 cites W1966737301 @default.
• W2010517417 cites W1969413222 @default.
• W2010517417 cites W1979526823 @default.
• W2010517417 cites W1993874688 @default.
• W2010517417 cites W2001642813 @default.
• W2010517417 cites W2006094409 @default.
• W2010517417 cites W2008606945 @default.
• W2010517417 cites W2016295976 @default.
• W2010517417 cites W2019723230 @default.
• W2010517417 cites W2021739672 @default.
• W2010517417 cites W2023792536 @default.
• W2010517417 cites W2038767330 @default.
• W2010517417 cites W2038776402 @default.
• W2010517417 cites W2043917151 @default.
• W2010517417 cites W2045051537 @default.
• W2010517417 cites W2055343687 @default.
• W2010517417 cites W2060483598 @default.
• W2010517417 cites W2071098963 @default.
• W2010517417 cites W2080182148 @default.
• W2010517417 cites W2082264039 @default.
• W2010517417 cites W2155524113 @default.
• W2010517417 cites W2162166182 @default.
• W2010517417 cites W4233749056 @default.
• W2010517417 cites W4240378667 @default.
• W2010517417 doi "https://doi.org/10.1063/1.469646" @default.
• W2010517417 hasPublicationYear "1995" @default.
• W2010517417 type Work @default.
• W2010517417 sameAs 2010517417 @default.
• W2010517417 citedByCount "39" @default.
• W2010517417 countsByYear W20105174172012 @default.
• W2010517417 countsByYear W20105174172013 @default.
• W2010517417 countsByYear W20105174172014 @default.
• W2010517417 countsByYear W20105174172015 @default.
• W2010517417 countsByYear W20105174172018 @default.
• W2010517417 countsByYear W20105174172019 @default.
• W2010517417 countsByYear W20105174172021 @default.
• W2010517417 crossrefType "journal-article" @default.
• W2010517417 hasAuthorship W2010517417A5007083472 @default.
• W2010517417 hasAuthorship W2010517417A5020871683 @default.
• W2010517417 hasAuthorship W2010517417A5028194420 @default.
• W2010517417 hasConcept C109214941 @default.
• W2010517417 hasConcept C112887158 @default.
• W2010517417 hasConcept C121332964 @default.
• W2010517417 hasConcept C131584629 @default.
• W2010517417 hasConcept C147597530 @default.
• W2010517417 hasConcept C166014724 @default.
• W2010517417 hasConcept C173523689 @default.
• W2010517417 hasConcept C178790620 @default.
• W2010517417 hasConcept C183276030 @default.
• W2010517417 hasConcept C183971685 @default.
• W2010517417 hasConcept C184779094 @default.
• W2010517417 hasConcept C185592680 @default.
• W2010517417 hasConcept C191897082 @default.
• W2010517417 hasConcept C192562407 @default.
• W2010517417 hasConcept C193201615 @default.
• W2010517417 hasConcept C2776403692 @default.
• W2010517417 hasConcept C2778279818 @default.
• W2010517417 hasConcept C2779546866 @default.
• W2010517417 hasConcept C2781442258 @default.
• W2010517417 hasConcept C32909587 @default.
• W2010517417 hasConcept C39984356 @default.
• W2010517417 hasConcept C41999313 @default.
• W2010517417 hasConcept C512968161 @default.
• W2010517417 hasConcept C55493867 @default.
• W2010517417 hasConcept C58364064 @default.
• W2010517417 hasConcept C93282013 @default.
• W2010517417 hasConceptScore W2010517417C109214941 @default.
• W2010517417 hasConceptScore W2010517417C112887158 @default.
• W2010517417 hasConceptScore W2010517417C121332964 @default.
• W2010517417 hasConceptScore W2010517417C131584629 @default.
• W2010517417 hasConceptScore W2010517417C147597530 @default.
• W2010517417 hasConceptScore W2010517417C166014724 @default.
• W2010517417 hasConceptScore W2010517417C173523689 @default.
• W2010517417 hasConceptScore W2010517417C178790620 @default.
• W2010517417 hasConceptScore W2010517417C183276030 @default.
• W2010517417 hasConceptScore W2010517417C183971685 @default.
• W2010517417 hasConceptScore W2010517417C184779094 @default.
• W2010517417 hasConceptScore W2010517417C185592680 @default.
• W2010517417 hasConceptScore W2010517417C191897082 @default.
• W2010517417 hasConceptScore W2010517417C192562407 @default.
• W2010517417 hasConceptScore W2010517417C193201615 @default.
• W2010517417 hasConceptScore W2010517417C2776403692 @default.
• W2010517417 hasConceptScore W2010517417C2778279818 @default.
• W2010517417 hasConceptScore W2010517417C2779546866 @default.
• W2010517417 hasConceptScore W2010517417C2781442258 @default.
• W2010517417 hasConceptScore W2010517417C32909587 @default.
• W2010517417 hasConceptScore W2010517417C39984356 @default.
• W2010517417 hasConceptScore W2010517417C41999313 @default.
• W2010517417 hasConceptScore W2010517417C512968161 @default.
• W2010517417 hasConceptScore W2010517417C55493867 @default.

• next