Matches in SemOpenAlex for { <https://semopenalex.org/work/W2016150473> ?p ?o ?g. }
- W2016150473 endingPage "221" @default.
- W2016150473 startingPage "215" @default.
- W2016150473 abstract "Abstract Ab initio calculations have been carried out to study the geometrical and vibrational properties of the methyl isocyanide dimer. Calculations show that there is a stable dimer structure of C 2h symmetry, consistent with previous results. Rotation of a methyl group by 60° from the minimum-energy configuration leads to a transition state of C s symmetry, whereas rotation of both methyl groups by 60° from the minimum-energy configuration leads to a second-order saddle point of C 2h symmetry. The geometry of methyl isocyanide is only slightly affected by dimerization, and the dimer turns out to be principally a N C dipole pair. Change of the vibrational characteristics upon dimerization is relatively small and well reproduced theoretically. The distinct hypysochromatic shift of the N C stretch in complexation is small, but clearly observed in dimerization of methyl isocyanide. Strengthening of the N C bond in dimerization is further confirmed with the higher N C force constant of the dimer." @default.
- W2016150473 created "2016-06-24" @default.
- W2016150473 creator A5036641250 @default.
- W2016150473 creator A5047164472 @default.
- W2016150473 date "2000-03-01" @default.
- W2016150473 modified "2023-09-23" @default.
- W2016150473 title "A theoretical investigation of the structure and vibrational properties of the methyl isocyanide dimer" @default.
- W2016150473 cites W1516705194 @default.
- W2016150473 cites W1605674029 @default.
- W2016150473 cites W1968419646 @default.
- W2016150473 cites W1970048630 @default.
- W2016150473 cites W1998521180 @default.
- W2016150473 cites W2002003458 @default.
- W2016150473 cites W2012489872 @default.
- W2016150473 cites W2020649417 @default.
- W2016150473 cites W2022950330 @default.
- W2016150473 cites W2028249085 @default.
- W2016150473 cites W2049250680 @default.
- W2016150473 cites W2058405795 @default.
- W2016150473 cites W2063350983 @default.
- W2016150473 cites W2072657446 @default.
- W2016150473 cites W2079501201 @default.
- W2016150473 cites W2107132459 @default.
- W2016150473 cites W221777904 @default.
- W2016150473 cites W3005350116 @default.
- W2016150473 doi "https://doi.org/10.1016/s0166-1280(99)00306-1" @default.
- W2016150473 hasPublicationYear "2000" @default.
- W2016150473 type Work @default.
- W2016150473 sameAs 2016150473 @default.
- W2016150473 citedByCount "2" @default.
- W2016150473 crossrefType "journal-article" @default.
- W2016150473 hasAuthorship W2016150473A5036641250 @default.
- W2016150473 hasAuthorship W2016150473A5047164472 @default.
- W2016150473 hasConcept C115624301 @default.
- W2016150473 hasConcept C147597530 @default.
- W2016150473 hasConcept C155860418 @default.
- W2016150473 hasConcept C173523689 @default.
- W2016150473 hasConcept C178790620 @default.
- W2016150473 hasConcept C185592680 @default.
- W2016150473 hasConcept C24123453 @default.
- W2016150473 hasConcept C2524010 @default.
- W2016150473 hasConcept C2681867 @default.
- W2016150473 hasConcept C2777010268 @default.
- W2016150473 hasConcept C2778565081 @default.
- W2016150473 hasConcept C2779546866 @default.
- W2016150473 hasConcept C2779886137 @default.
- W2016150473 hasConcept C2781311116 @default.
- W2016150473 hasConcept C2781442258 @default.
- W2016150473 hasConcept C32909587 @default.
- W2016150473 hasConcept C33923547 @default.
- W2016150473 hasConcept C71240020 @default.
- W2016150473 hasConcept C8010536 @default.
- W2016150473 hasConceptScore W2016150473C115624301 @default.
- W2016150473 hasConceptScore W2016150473C147597530 @default.
- W2016150473 hasConceptScore W2016150473C155860418 @default.
- W2016150473 hasConceptScore W2016150473C173523689 @default.
- W2016150473 hasConceptScore W2016150473C178790620 @default.
- W2016150473 hasConceptScore W2016150473C185592680 @default.
- W2016150473 hasConceptScore W2016150473C24123453 @default.
- W2016150473 hasConceptScore W2016150473C2524010 @default.
- W2016150473 hasConceptScore W2016150473C2681867 @default.
- W2016150473 hasConceptScore W2016150473C2777010268 @default.
- W2016150473 hasConceptScore W2016150473C2778565081 @default.
- W2016150473 hasConceptScore W2016150473C2779546866 @default.
- W2016150473 hasConceptScore W2016150473C2779886137 @default.
- W2016150473 hasConceptScore W2016150473C2781311116 @default.
- W2016150473 hasConceptScore W2016150473C2781442258 @default.
- W2016150473 hasConceptScore W2016150473C32909587 @default.
- W2016150473 hasConceptScore W2016150473C33923547 @default.
- W2016150473 hasConceptScore W2016150473C71240020 @default.
- W2016150473 hasConceptScore W2016150473C8010536 @default.
- W2016150473 hasIssue "1-3" @default.
- W2016150473 hasLocation W20161504731 @default.
- W2016150473 hasOpenAccess W2016150473 @default.
- W2016150473 hasPrimaryLocation W20161504731 @default.
- W2016150473 hasRelatedWork W1500964740 @default.
- W2016150473 hasRelatedWork W1644500305 @default.
- W2016150473 hasRelatedWork W1979545535 @default.
- W2016150473 hasRelatedWork W2002779215 @default.
- W2016150473 hasRelatedWork W2027135460 @default.
- W2016150473 hasRelatedWork W2033436183 @default.
- W2016150473 hasRelatedWork W2049170946 @default.
- W2016150473 hasRelatedWork W2054209587 @default.
- W2016150473 hasRelatedWork W2231358692 @default.
- W2016150473 hasRelatedWork W2334494717 @default.
- W2016150473 hasRelatedWork W2898110525 @default.
- W2016150473 hasRelatedWork W2949721977 @default.
- W2016150473 hasRelatedWork W2951336535 @default.
- W2016150473 hasRelatedWork W2952716388 @default.
- W2016150473 hasRelatedWork W3012561946 @default.
- W2016150473 hasRelatedWork W875395591 @default.
- W2016150473 hasRelatedWork W96832296 @default.
- W2016150473 hasRelatedWork W2032830354 @default.
- W2016150473 hasRelatedWork W2473392515 @default.
- W2016150473 hasRelatedWork W2513372002 @default.
- W2016150473 hasVolume "499" @default.
- W2016150473 isParatext "false" @default.
- W2016150473 isRetracted "false" @default.