Matches in SemOpenAlex for { <https://semopenalex.org/work/W2160250232> ?p ?o ?g. }
Showing items 1 to 69 of
69
with 100 items per page.
- W2160250232 endingPage "26" @default.
- W2160250232 startingPage "21" @default.
- W2160250232 abstract "In the present paper we have performed a conformational analysis of the tetrabenzyl ether of the p-tert-butyldihomooxacalix[4]arene by molecular mechanics/molecular dynamics simulations. These calculations indicate that among the six studied conformations, the 1,3-alternate is the thermodynamically most stable conformation, followed by the partial cone A, while the cone is the least stable conformation. Analysis of the energy components of the potential energy shows that these preferences are mainly due to coulombic repulsion interactions between the oxygen atoms as well as to non-bonded steric hinderance between the bulky groups. Molecular dynamics results also indicate that, although all the six conformations are flexible with the phenol rings twisting around from inward to outward pointing, they lie in geometries close to the starting ones and no conformational interconversions were detected." @default.
- W2160250232 created "2016-06-24" @default.
- W2160250232 creator A5043948610 @default.
- W2160250232 creator A5051538787 @default.
- W2160250232 creator A5056621251 @default.
- W2160250232 date "1999-04-23" @default.
- W2160250232 modified "2023-10-17" @default.
- W2160250232 title "Conformational analysis of a tetrabenzylated dihomooxacalix[4]arene. A theoretical study" @default.
- W2160250232 cites W1552652435 @default.
- W2160250232 cites W1985541393 @default.
- W2160250232 cites W1991245175 @default.
- W2160250232 cites W2071788262 @default.
- W2160250232 cites W2072964853 @default.
- W2160250232 cites W2076002017 @default.
- W2160250232 cites W2096126232 @default.
- W2160250232 cites W2952308796 @default.
- W2160250232 doi "https://doi.org/10.1016/s0166-1280(98)00388-1" @default.
- W2160250232 hasPublicationYear "1999" @default.
- W2160250232 type Work @default.
- W2160250232 sameAs 2160250232 @default.
- W2160250232 citedByCount "2" @default.
- W2160250232 countsByYear W21602502322018 @default.
- W2160250232 crossrefType "journal-article" @default.
- W2160250232 hasAuthorship W2160250232A5043948610 @default.
- W2160250232 hasAuthorship W2160250232A5051538787 @default.
- W2160250232 hasAuthorship W2160250232A5056621251 @default.
- W2160250232 hasConcept C147597530 @default.
- W2160250232 hasConcept C178790620 @default.
- W2160250232 hasConcept C185592680 @default.
- W2160250232 hasConcept C201194858 @default.
- W2160250232 hasConcept C25057246 @default.
- W2160250232 hasConcept C2780407432 @default.
- W2160250232 hasConcept C2989255885 @default.
- W2160250232 hasConcept C32909587 @default.
- W2160250232 hasConcept C59593255 @default.
- W2160250232 hasConcept C71240020 @default.
- W2160250232 hasConcept C8010536 @default.
- W2160250232 hasConceptScore W2160250232C147597530 @default.
- W2160250232 hasConceptScore W2160250232C178790620 @default.
- W2160250232 hasConceptScore W2160250232C185592680 @default.
- W2160250232 hasConceptScore W2160250232C201194858 @default.
- W2160250232 hasConceptScore W2160250232C25057246 @default.
- W2160250232 hasConceptScore W2160250232C2780407432 @default.
- W2160250232 hasConceptScore W2160250232C2989255885 @default.
- W2160250232 hasConceptScore W2160250232C32909587 @default.
- W2160250232 hasConceptScore W2160250232C59593255 @default.
- W2160250232 hasConceptScore W2160250232C71240020 @default.
- W2160250232 hasConceptScore W2160250232C8010536 @default.
- W2160250232 hasIssue "1-2" @default.
- W2160250232 hasLocation W21602502321 @default.
- W2160250232 hasOpenAccess W2160250232 @default.
- W2160250232 hasPrimaryLocation W21602502321 @default.
- W2160250232 hasRelatedWork W1588281760 @default.
- W2160250232 hasRelatedWork W1970538734 @default.
- W2160250232 hasRelatedWork W1978668867 @default.
- W2160250232 hasRelatedWork W1980895008 @default.
- W2160250232 hasRelatedWork W2018734470 @default.
- W2160250232 hasRelatedWork W2044299181 @default.
- W2160250232 hasRelatedWork W2062702261 @default.
- W2160250232 hasRelatedWork W2952865208 @default.
- W2160250232 hasRelatedWork W2953125207 @default.
- W2160250232 hasRelatedWork W60087389 @default.
- W2160250232 hasVolume "463" @default.
- W2160250232 isParatext "false" @default.
- W2160250232 isRetracted "false" @default.
- W2160250232 magId "2160250232" @default.
- W2160250232 workType "article" @default.