Matches in SemOpenAlex for { <https://semopenalex.org/work/W2223746634> ?p ?o ?g. }
Showing items 1 to 76 of
76
with 100 items per page.
- W2223746634 endingPage "27" @default.
- W2223746634 startingPage "27" @default.
- W2223746634 abstract "The mechanism of intramolecular cyclization for products of epichlorohydrin aminolysis by secondary amines has been investigated at ab initio level of theory. By comparative analysis of energetic characteristics, which obtained in vacuo as well as in acetonitrile solution with the trace quantities of water as an «active» solvation partner of reaction, it has been shown a decisive role of solvent, which occurs mainly at the expense of the polarizable effects for nonspecific solvation. Indeed, the addition to the substrate of one water molecule have decreased corresponding EACT values only 24.1 kJ/mol, while the appearance of acetonitrile surroundings have the same influence ~42.0 kJ/mol. The results of calculations are in good agreement with that data, which have been obtained for such type modeling previously." @default.
- W2223746634 created "2016-06-24" @default.
- W2223746634 creator A5009642911 @default.
- W2223746634 date "2014-12-11" @default.
- W2223746634 modified "2023-10-13" @default.
- W2223746634 title "Квантово-хімічне дослідження механізму реакції N-циклізації продуктів амінолізу епіхлоргідрину" @default.
- W2223746634 cites W1982356449 @default.
- W2223746634 cites W1997340274 @default.
- W2223746634 cites W1997704870 @default.
- W2223746634 cites W2037223803 @default.
- W2223746634 cites W2086422332 @default.
- W2223746634 cites W2949330903 @default.
- W2223746634 cites W584870032 @default.
- W2223746634 doi "https://doi.org/10.15421/081418" @default.
- W2223746634 hasPublicationYear "2014" @default.
- W2223746634 type Work @default.
- W2223746634 sameAs 2223746634 @default.
- W2223746634 citedByCount "1" @default.
- W2223746634 countsByYear W22237466342021 @default.
- W2223746634 crossrefType "journal-article" @default.
- W2223746634 hasAuthorship W2223746634A5009642911 @default.
- W2223746634 hasBestOaLocation W22237466341 @default.
- W2223746634 hasConcept C132439834 @default.
- W2223746634 hasConcept C139287275 @default.
- W2223746634 hasConcept C147597530 @default.
- W2223746634 hasConcept C147789679 @default.
- W2223746634 hasConcept C148093993 @default.
- W2223746634 hasConcept C161790260 @default.
- W2223746634 hasConcept C178790620 @default.
- W2223746634 hasConcept C185592680 @default.
- W2223746634 hasConcept C19144061 @default.
- W2223746634 hasConcept C2777463227 @default.
- W2223746634 hasConcept C2777998946 @default.
- W2223746634 hasConcept C2778925040 @default.
- W2223746634 hasConcept C2780471494 @default.
- W2223746634 hasConcept C2781442258 @default.
- W2223746634 hasConcept C32909587 @default.
- W2223746634 hasConcept C75079739 @default.
- W2223746634 hasConceptScore W2223746634C132439834 @default.
- W2223746634 hasConceptScore W2223746634C139287275 @default.
- W2223746634 hasConceptScore W2223746634C147597530 @default.
- W2223746634 hasConceptScore W2223746634C147789679 @default.
- W2223746634 hasConceptScore W2223746634C148093993 @default.
- W2223746634 hasConceptScore W2223746634C161790260 @default.
- W2223746634 hasConceptScore W2223746634C178790620 @default.
- W2223746634 hasConceptScore W2223746634C185592680 @default.
- W2223746634 hasConceptScore W2223746634C19144061 @default.
- W2223746634 hasConceptScore W2223746634C2777463227 @default.
- W2223746634 hasConceptScore W2223746634C2777998946 @default.
- W2223746634 hasConceptScore W2223746634C2778925040 @default.
- W2223746634 hasConceptScore W2223746634C2780471494 @default.
- W2223746634 hasConceptScore W2223746634C2781442258 @default.
- W2223746634 hasConceptScore W2223746634C32909587 @default.
- W2223746634 hasConceptScore W2223746634C75079739 @default.
- W2223746634 hasIssue "2" @default.
- W2223746634 hasLocation W22237466341 @default.
- W2223746634 hasLocation W22237466342 @default.
- W2223746634 hasOpenAccess W2223746634 @default.
- W2223746634 hasPrimaryLocation W22237466341 @default.
- W2223746634 hasRelatedWork W1973340168 @default.
- W2223746634 hasRelatedWork W1990100375 @default.
- W2223746634 hasRelatedWork W2008717143 @default.
- W2223746634 hasRelatedWork W2019251793 @default.
- W2223746634 hasRelatedWork W2084958362 @default.
- W2223746634 hasRelatedWork W2087622689 @default.
- W2223746634 hasRelatedWork W2223746634 @default.
- W2223746634 hasRelatedWork W2473515915 @default.
- W2223746634 hasRelatedWork W2805315383 @default.
- W2223746634 hasRelatedWork W3022002454 @default.
- W2223746634 hasVolume "22" @default.
- W2223746634 isParatext "false" @default.
- W2223746634 isRetracted "false" @default.
- W2223746634 magId "2223746634" @default.
- W2223746634 workType "article" @default.