Matches in SemOpenAlex for { <https://semopenalex.org/work/W2121551146> ?p ?o ?g. }
Showing items 1 to 96 of
96
with 100 items per page.
- W2121551146 endingPage "204" @default.
- W2121551146 startingPage "195" @default.
- W2121551146 abstract "In this paper various properties of parent sulfur diimides (PSD) as the simplest member of sulfur diimides family have been considered using both DFT and ab initio methods employing correlation consistent basis set hierarchies. According to these calculations, EZ conformer is predicted to be the most stable conformer in accord with experimental observation, while its energy difference with ZZ conformer is completely minute. Comparison of microwave gas phase spectra and dense phase IR experimental data with theoretical calculations show a great coincidence. The properties of EE conformer have also been anticipated and its possible presence in dense phase have been discussed although no firm experimental data exists for this conformer. The possible pathways for interconversion between various conformers have been investigated and only two unimolecular type processes namely EZ ↔ EE and EZ ↔ ZZ interconversions have been established according to a pseudo-rotation mechanism as constituting the essential dynamic of system." @default.
- W2121551146 created "2016-06-24" @default.
- W2121551146 creator A5016333886 @default.
- W2121551146 creator A5029611226 @default.
- W2121551146 creator A5062689605 @default.
- W2121551146 date "2004-02-01" @default.
- W2121551146 modified "2023-10-09" @default.
- W2121551146 title "A theoretical investigation of electronic ground state of parent sulfur diimide" @default.
- W2121551146 cites W1968943197 @default.
- W2121551146 cites W1971063822 @default.
- W2121551146 cites W1981122720 @default.
- W2121551146 cites W1981401219 @default.
- W2121551146 cites W1981872991 @default.
- W2121551146 cites W2003762835 @default.
- W2121551146 cites W2008117787 @default.
- W2121551146 cites W2008510696 @default.
- W2121551146 cites W2014767176 @default.
- W2121551146 cites W2023195528 @default.
- W2121551146 cites W2028541459 @default.
- W2121551146 cites W2029954080 @default.
- W2121551146 cites W2031856796 @default.
- W2121551146 cites W2050258057 @default.
- W2121551146 cites W2058225864 @default.
- W2121551146 cites W2062745494 @default.
- W2121551146 cites W2069006374 @default.
- W2121551146 cites W2078361104 @default.
- W2121551146 cites W2079458939 @default.
- W2121551146 cites W2089894714 @default.
- W2121551146 cites W2143981217 @default.
- W2121551146 cites W2159776624 @default.
- W2121551146 cites W2950692345 @default.
- W2121551146 cites W4232991204 @default.
- W2121551146 cites W4245122158 @default.
- W2121551146 doi "https://doi.org/10.1016/j.jms.2003.12.001" @default.
- W2121551146 hasPublicationYear "2004" @default.
- W2121551146 type Work @default.
- W2121551146 sameAs 2121551146 @default.
- W2121551146 citedByCount "2" @default.
- W2121551146 countsByYear W21215511462022 @default.
- W2121551146 crossrefType "journal-article" @default.
- W2121551146 hasAuthorship W2121551146A5016333886 @default.
- W2121551146 hasAuthorship W2121551146A5029611226 @default.
- W2121551146 hasAuthorship W2121551146A5062689605 @default.
- W2121551146 hasConcept C121332964 @default.
- W2121551146 hasConcept C147597530 @default.
- W2121551146 hasConcept C152365726 @default.
- W2121551146 hasConcept C159467904 @default.
- W2121551146 hasConcept C184779094 @default.
- W2121551146 hasConcept C185592680 @default.
- W2121551146 hasConcept C18705241 @default.
- W2121551146 hasConcept C191897082 @default.
- W2121551146 hasConcept C192562407 @default.
- W2121551146 hasConcept C2781442258 @default.
- W2121551146 hasConcept C32909587 @default.
- W2121551146 hasConcept C518881349 @default.
- W2121551146 hasConcept C62520636 @default.
- W2121551146 hasConcept C65956243 @default.
- W2121551146 hasConcept C69523127 @default.
- W2121551146 hasConcept C97355855 @default.
- W2121551146 hasConceptScore W2121551146C121332964 @default.
- W2121551146 hasConceptScore W2121551146C147597530 @default.
- W2121551146 hasConceptScore W2121551146C152365726 @default.
- W2121551146 hasConceptScore W2121551146C159467904 @default.
- W2121551146 hasConceptScore W2121551146C184779094 @default.
- W2121551146 hasConceptScore W2121551146C185592680 @default.
- W2121551146 hasConceptScore W2121551146C18705241 @default.
- W2121551146 hasConceptScore W2121551146C191897082 @default.
- W2121551146 hasConceptScore W2121551146C192562407 @default.
- W2121551146 hasConceptScore W2121551146C2781442258 @default.
- W2121551146 hasConceptScore W2121551146C32909587 @default.
- W2121551146 hasConceptScore W2121551146C518881349 @default.
- W2121551146 hasConceptScore W2121551146C62520636 @default.
- W2121551146 hasConceptScore W2121551146C65956243 @default.
- W2121551146 hasConceptScore W2121551146C69523127 @default.
- W2121551146 hasConceptScore W2121551146C97355855 @default.
- W2121551146 hasIssue "2" @default.
- W2121551146 hasLocation W21215511461 @default.
- W2121551146 hasOpenAccess W2121551146 @default.
- W2121551146 hasPrimaryLocation W21215511461 @default.
- W2121551146 hasRelatedWork W1979180914 @default.
- W2121551146 hasRelatedWork W1988732889 @default.
- W2121551146 hasRelatedWork W1989614561 @default.
- W2121551146 hasRelatedWork W2017082684 @default.
- W2121551146 hasRelatedWork W2023036309 @default.
- W2121551146 hasRelatedWork W2025967722 @default.
- W2121551146 hasRelatedWork W2031111545 @default.
- W2121551146 hasRelatedWork W2042265971 @default.
- W2121551146 hasRelatedWork W2073415965 @default.
- W2121551146 hasRelatedWork W4231574477 @default.
- W2121551146 hasVolume "223" @default.
- W2121551146 isParatext "false" @default.
- W2121551146 isRetracted "false" @default.
- W2121551146 magId "2121551146" @default.
- W2121551146 workType "article" @default.