Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000333181> ?p ?o ?g. }
- W2000333181 endingPage "1276" @default.
- W2000333181 startingPage "1266" @default.
- W2000333181 abstract "The conformational analysis of unsubstituted and alkyl-substituted oligothiophenes and oligo(thienyl)furans by dynamic NMR (DNMR) spectroscopy and ab initio calculations is described. The DNMR studies of oligothiophenes indicate that the conformational exchange is fast even on the 13C chemical shift scale and that the barriers are too low to be measured by this technique. Ab initio 6-31G** and MP2/6-31G** calculations are in agreement with these experimental findings. Moreover, it is found that the torsional barriers do not change significantly as the chain length is increased. Torsional parameter sets for the MM2 force field are derived for substituted oligothiophenes and oligo(thienyl)furans using the ab initio torsional energy profiles for the appropriate dimers, with the expectation that these parameter sets will be transferable to larger oligomers." @default.
- W2000333181 created "2016-06-24" @default.
- W2000333181 creator A5012016543 @default.
- W2000333181 creator A5022816199 @default.
- W2000333181 creator A5089046130 @default.
- W2000333181 creator A5091860954 @default.
- W2000333181 date "2001-12-20" @default.
- W2000333181 modified "2023-09-27" @default.
- W2000333181 title "Investigation of Barriers To Conformational Interchange in Oligothiophenes and Oligo(Thienyl)furans" @default.
- W2000333181 cites W1674381602 @default.
- W2000333181 cites W1964162368 @default.
- W2000333181 cites W1968662015 @default.
- W2000333181 cites W1972660745 @default.
- W2000333181 cites W1975144019 @default.
- W2000333181 cites W1976364877 @default.
- W2000333181 cites W1977592169 @default.
- W2000333181 cites W1983788700 @default.
- W2000333181 cites W1984308465 @default.
- W2000333181 cites W1993191614 @default.
- W2000333181 cites W1995772026 @default.
- W2000333181 cites W1997558514 @default.
- W2000333181 cites W1999332606 @default.
- W2000333181 cites W2000577996 @default.
- W2000333181 cites W2008450035 @default.
- W2000333181 cites W2012854657 @default.
- W2000333181 cites W2014919367 @default.
- W2000333181 cites W2015059053 @default.
- W2000333181 cites W2015642350 @default.
- W2000333181 cites W2016028637 @default.
- W2000333181 cites W2017880145 @default.
- W2000333181 cites W2019961860 @default.
- W2000333181 cites W2020829441 @default.
- W2000333181 cites W2022950330 @default.
- W2000333181 cites W2025333438 @default.
- W2000333181 cites W2026208354 @default.
- W2000333181 cites W2027459851 @default.
- W2000333181 cites W2028012841 @default.
- W2000333181 cites W2028148140 @default.
- W2000333181 cites W2031983500 @default.
- W2000333181 cites W2035677823 @default.
- W2000333181 cites W2038927237 @default.
- W2000333181 cites W2046849880 @default.
- W2000333181 cites W2053754759 @default.
- W2000333181 cites W2054037109 @default.
- W2000333181 cites W2055535890 @default.
- W2000333181 cites W2056171598 @default.
- W2000333181 cites W2058101182 @default.
- W2000333181 cites W2061360516 @default.
- W2000333181 cites W2066878568 @default.
- W2000333181 cites W2067748517 @default.
- W2000333181 cites W2069423337 @default.
- W2000333181 cites W2073294280 @default.
- W2000333181 cites W2075665192 @default.
- W2000333181 cites W2076139162 @default.
- W2000333181 cites W2076482697 @default.
- W2000333181 cites W2082418960 @default.
- W2000333181 cites W2085113765 @default.
- W2000333181 cites W2085353817 @default.
- W2000333181 cites W2089632015 @default.
- W2000333181 cites W2118257356 @default.
- W2000333181 cites W2128172847 @default.
- W2000333181 cites W2134729831 @default.
- W2000333181 cites W2140319432 @default.
- W2000333181 cites W2155400312 @default.
- W2000333181 cites W2164754626 @default.
- W2000333181 cites W2951143054 @default.
- W2000333181 cites W3023854223 @default.
- W2000333181 doi "https://doi.org/10.1021/jp011783t" @default.
- W2000333181 hasPublicationYear "2001" @default.
- W2000333181 type Work @default.
- W2000333181 sameAs 2000333181 @default.
- W2000333181 citedByCount "43" @default.
- W2000333181 countsByYear W20003331812012 @default.
- W2000333181 countsByYear W20003331812013 @default.
- W2000333181 countsByYear W20003331812014 @default.
- W2000333181 countsByYear W20003331812015 @default.
- W2000333181 countsByYear W20003331812017 @default.
- W2000333181 countsByYear W20003331812018 @default.
- W2000333181 countsByYear W20003331812021 @default.
- W2000333181 crossrefType "journal-article" @default.
- W2000333181 hasAuthorship W2000333181A5012016543 @default.
- W2000333181 hasAuthorship W2000333181A5022816199 @default.
- W2000333181 hasAuthorship W2000333181A5089046130 @default.
- W2000333181 hasAuthorship W2000333181A5091860954 @default.
- W2000333181 hasConcept C10803110 @default.
- W2000333181 hasConcept C111429119 @default.
- W2000333181 hasConcept C147597530 @default.
- W2000333181 hasConcept C147789679 @default.
- W2000333181 hasConcept C154945302 @default.
- W2000333181 hasConcept C178790620 @default.
- W2000333181 hasConcept C183971685 @default.
- W2000333181 hasConcept C185592680 @default.
- W2000333181 hasConcept C2780263894 @default.
- W2000333181 hasConcept C2781442258 @default.
- W2000333181 hasConcept C32909587 @default.
- W2000333181 hasConcept C41008148 @default.
- W2000333181 hasConcept C66974803 @default.
- W2000333181 hasConcept C71240020 @default.