Matches in SemOpenAlex for { <https://semopenalex.org/work/W2147530458> ?p ?o ?g. }
- W2147530458 abstract "Enantiomerization of the heterocyclic compounds PyPhXPhPy, PyXXPhPy, PyXPhXPy and PyXXXPy with furan (X = O), thiophene (X = S), and selenophene (X = Se), were studied by quantum chemical calculations [B3LYP/6-31G* and MP2(full)/6-311+G**//B3LYP/6-31G*]. The activation barriers for the helicene compounds and twist angle decrease in the order PyPhSePhPy > PyPhSPhPy > PySePhSePy > PySeSePhPy > PySPhSPy. Electronic and steric factors of the helicene compounds affect the enantiomerization process and activation energy barrier." @default.
- W2147530458 created "2016-06-24" @default.
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- W2147530458 date "2014-01-09" @default.
- W2147530458 modified "2023-10-02" @default.
- W2147530458 title "Designing Molecular Flip-Flops - DFT-Investigations on the Enantiomerization of Hetero Helicenes" @default.
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- W2147530458 doi "https://doi.org/10.1002/zaac.201300555" @default.
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