Matches in SemOpenAlex for { <https://semopenalex.org/work/W1997312925> ?p ?o ?g. }
Showing items 1 to 69 of
69
with 100 items per page.
- W1997312925 endingPage "237" @default.
- W1997312925 startingPage "233" @default.
- W1997312925 abstract "The molecular structures of indazole and 3-halogeno-indazole tautomers were calculated by the B3LYP method at the 6-311G** level, both in the gaseous and aqueous phases, with full geometry optimization. The geometry and electronic structure of the tautomers of indazole, 3-halogeno-indazole and their transition states were obtained. The Onsager solvate theory model was employed for the aqueous solution calculations. The results of the calculation indicated that the N1-H form of the studied molecule is more stable than that of the N2-H form. The influences of the different 3-halogeno and solvent effects on the geometry, energy, charge and activation energy were discussed. The reaction mechanism of the tautomerization of indazole and 3-halogeno-indazole was also studied and a three-membered cyclic transition state of the tautomer reaction has been obtained." @default.
- W1997312925 created "2016-06-24" @default.
- W1997312925 creator A5027953387 @default.
- W1997312925 creator A5028354954 @default.
- W1997312925 creator A5049985241 @default.
- W1997312925 date "2006-06-01" @default.
- W1997312925 modified "2023-09-26" @default.
- W1997312925 title "Theoretical Study on Reaction Mechanism of Tautomerization of Indazole and 3-halogeno-indazole" @default.
- W1997312925 cites W1484246371 @default.
- W1997312925 cites W1499419532 @default.
- W1997312925 cites W1981552309 @default.
- W1997312925 cites W1982055965 @default.
- W1997312925 cites W1988094003 @default.
- W1997312925 cites W2015692506 @default.
- W1997312925 cites W2067374878 @default.
- W1997312925 cites W2084475210 @default.
- W1997312925 doi "https://doi.org/10.1360/cjcp2006.19(3).233.5" @default.
- W1997312925 hasPublicationYear "2006" @default.
- W1997312925 type Work @default.
- W1997312925 sameAs 1997312925 @default.
- W1997312925 citedByCount "4" @default.
- W1997312925 countsByYear W19973129252019 @default.
- W1997312925 crossrefType "journal-article" @default.
- W1997312925 hasAuthorship W1997312925A5027953387 @default.
- W1997312925 hasAuthorship W1997312925A5028354954 @default.
- W1997312925 hasAuthorship W1997312925A5049985241 @default.
- W1997312925 hasConcept C111233374 @default.
- W1997312925 hasConcept C147597530 @default.
- W1997312925 hasConcept C147789679 @default.
- W1997312925 hasConcept C161790260 @default.
- W1997312925 hasConcept C178790620 @default.
- W1997312925 hasConcept C184651966 @default.
- W1997312925 hasConcept C185592680 @default.
- W1997312925 hasConcept C2780591553 @default.
- W1997312925 hasConcept C32909587 @default.
- W1997312925 hasConcept C71240020 @default.
- W1997312925 hasConcept C89031862 @default.
- W1997312925 hasConceptScore W1997312925C111233374 @default.
- W1997312925 hasConceptScore W1997312925C147597530 @default.
- W1997312925 hasConceptScore W1997312925C147789679 @default.
- W1997312925 hasConceptScore W1997312925C161790260 @default.
- W1997312925 hasConceptScore W1997312925C178790620 @default.
- W1997312925 hasConceptScore W1997312925C184651966 @default.
- W1997312925 hasConceptScore W1997312925C185592680 @default.
- W1997312925 hasConceptScore W1997312925C2780591553 @default.
- W1997312925 hasConceptScore W1997312925C32909587 @default.
- W1997312925 hasConceptScore W1997312925C71240020 @default.
- W1997312925 hasConceptScore W1997312925C89031862 @default.
- W1997312925 hasIssue "3" @default.
- W1997312925 hasLocation W19973129251 @default.
- W1997312925 hasOpenAccess W1997312925 @default.
- W1997312925 hasPrimaryLocation W19973129251 @default.
- W1997312925 hasRelatedWork W1981552309 @default.
- W1997312925 hasRelatedWork W1982055965 @default.
- W1997312925 hasRelatedWork W1997312925 @default.
- W1997312925 hasRelatedWork W2010822489 @default.
- W1997312925 hasRelatedWork W2024659485 @default.
- W1997312925 hasRelatedWork W2025665171 @default.
- W1997312925 hasRelatedWork W2076716777 @default.
- W1997312925 hasRelatedWork W2148902243 @default.
- W1997312925 hasRelatedWork W2902076415 @default.
- W1997312925 hasRelatedWork W4232020422 @default.
- W1997312925 hasVolume "19" @default.
- W1997312925 isParatext "false" @default.
- W1997312925 isRetracted "false" @default.
- W1997312925 magId "1997312925" @default.
- W1997312925 workType "article" @default.