FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2056103484> ?p ?o ?g. }

• W2056103484 endingPage "6" @default.
• W2056103484 startingPage "1" @default.
• W2056103484 abstract "In this work, the structural parameters of the title molecule (MTT) have been obtained at the B3LYP/6-311++G(**) level of theory. The two phenyl rings and the two heterocyclic rings are found in four different planes. The tetrazolium ring was connected with other three rings and their distances are also different in decrease order of 1.461 Å (from tetrazolium ring to carbon connected phenyl)>1.445 Å (from tetrazolium ring to nitrogen connected phenyl)>1.425 Å (from tetrazolium ring to thiazolyl ring). Fourier transform infrared (FTIR) and Raman spectra of the compound were obtained experimentally. All FTIR and Raman bands of the compound obtained experimentally were assigned based on the modeling results obtained at the B3LYP/6-311++G(**) level. The calculated vibrational frequencies were in good agreement with the experimental values. In addition, the UV-Vis spectra were obtained experimentally and theoretically. Considering the effect of the PCM modelling error, the calculated absorbance peaks obtained at the B3LYP/6-311++G(**) level were also in good agreement with the experimental values. The HOMO-LUMO gap was predicted to be 1.83 eV at the B3LYP/6-311++G(**) level." @default.
• W2056103484 created "2016-06-24" @default.
• W2056103484 creator A5006117774 @default.
• W2056103484 creator A5016998280 @default.
• W2056103484 creator A5030129050 @default.
• W2056103484 creator A5036577413 @default.
• W2056103484 creator A5037816258 @default.
• W2056103484 creator A5053256392 @default.
• W2056103484 date "2015-01-01" @default.
• W2056103484 modified "2023-10-05" @default.
• W2056103484 title "Vibrational spectroscopy and density functional theory study of 3-[4,5-dimethyl-2-thiazolyl]-2,5-diphenyl-2H-tetrazolium bromide" @default.
• W2056103484 cites W1977691737 @default.
• W2056103484 cites W1978653530 @default.
• W2056103484 cites W1979565474 @default.
• W2056103484 cites W1983655931 @default.
• W2056103484 cites W2019372644 @default.
• W2056103484 cites W2023271753 @default.
• W2056103484 cites W2048539136 @default.
• W2056103484 cites W2059160261 @default.
• W2056103484 cites W2062452477 @default.
• W2056103484 cites W2080944265 @default.
• W2056103484 cites W2086957099 @default.
• W2056103484 cites W2088702507 @default.
• W2056103484 cites W2093130113 @default.
• W2056103484 cites W2129579634 @default.
• W2056103484 cites W2143981217 @default.
• W2056103484 cites W2167303139 @default.
• W2056103484 cites W2327145319 @default.
• W2056103484 cites W2952861161 @default.
• W2056103484 doi "https://doi.org/10.1016/j.saa.2014.06.084" @default.
• W2056103484 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25036642" @default.
• W2056103484 hasPublicationYear "2015" @default.
• W2056103484 type Work @default.
• W2056103484 sameAs 2056103484 @default.
• W2056103484 citedByCount "4" @default.
• W2056103484 countsByYear W20561034842016 @default.
• W2056103484 countsByYear W20561034842017 @default.
• W2056103484 countsByYear W20561034842021 @default.
• W2056103484 countsByYear W20561034842023 @default.
• W2056103484 crossrefType "journal-article" @default.
• W2056103484 hasAuthorship W2056103484A5006117774 @default.
• W2056103484 hasAuthorship W2056103484A5016998280 @default.
• W2056103484 hasAuthorship W2056103484A5030129050 @default.
• W2056103484 hasAuthorship W2056103484A5036577413 @default.
• W2056103484 hasAuthorship W2056103484A5037816258 @default.
• W2056103484 hasAuthorship W2056103484A5053256392 @default.
• W2056103484 hasConcept C113196181 @default.
• W2056103484 hasConcept C120665830 @default.
• W2056103484 hasConcept C121332964 @default.
• W2056103484 hasConcept C14158195 @default.
• W2056103484 hasConcept C147597530 @default.
• W2056103484 hasConcept C147789679 @default.
• W2056103484 hasConcept C152365726 @default.
• W2056103484 hasConcept C153642686 @default.
• W2056103484 hasConcept C158355884 @default.
• W2056103484 hasConcept C160892712 @default.
• W2056103484 hasConcept C178790620 @default.
• W2056103484 hasConcept C185592680 @default.
• W2056103484 hasConcept C2776300020 @default.
• W2056103484 hasConcept C2780378348 @default.
• W2056103484 hasConcept C32909587 @default.
• W2056103484 hasConcept C40003534 @default.
• W2056103484 hasConcept C43617362 @default.
• W2056103484 hasConcept C98015330 @default.
• W2056103484 hasConceptScore W2056103484C113196181 @default.
• W2056103484 hasConceptScore W2056103484C120665830 @default.
• W2056103484 hasConceptScore W2056103484C121332964 @default.
• W2056103484 hasConceptScore W2056103484C14158195 @default.
• W2056103484 hasConceptScore W2056103484C147597530 @default.
• W2056103484 hasConceptScore W2056103484C147789679 @default.
• W2056103484 hasConceptScore W2056103484C152365726 @default.
• W2056103484 hasConceptScore W2056103484C153642686 @default.
• W2056103484 hasConceptScore W2056103484C158355884 @default.
• W2056103484 hasConceptScore W2056103484C160892712 @default.
• W2056103484 hasConceptScore W2056103484C178790620 @default.
• W2056103484 hasConceptScore W2056103484C185592680 @default.
• W2056103484 hasConceptScore W2056103484C2776300020 @default.
• W2056103484 hasConceptScore W2056103484C2780378348 @default.
• W2056103484 hasConceptScore W2056103484C32909587 @default.
• W2056103484 hasConceptScore W2056103484C40003534 @default.
• W2056103484 hasConceptScore W2056103484C43617362 @default.
• W2056103484 hasConceptScore W2056103484C98015330 @default.
• W2056103484 hasFunder F4320321001 @default.
• W2056103484 hasLocation W20561034841 @default.
• W2056103484 hasLocation W20561034842 @default.
• W2056103484 hasOpenAccess W2056103484 @default.
• W2056103484 hasPrimaryLocation W20561034841 @default.
• W2056103484 hasRelatedWork W1974504842 @default.
• W2056103484 hasRelatedWork W1977710157 @default.
• W2056103484 hasRelatedWork W2008697 @default.
• W2056103484 hasRelatedWork W2037465417 @default.
• W2056103484 hasRelatedWork W2082124747 @default.
• W2056103484 hasRelatedWork W2123391957 @default.
• W2056103484 hasRelatedWork W2342956985 @default.
• W2056103484 hasRelatedWork W2369453407 @default.
• W2056103484 hasRelatedWork W2566466900 @default.
• W2056103484 hasRelatedWork W2659269492 @default.
• W2056103484 hasVolume "135" @default.

• next