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Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.10.005
Abstract: Abstract The electronic and structural properties of the four copolymers, PBDPQU, PBDPBT, PBDPDPP, and PBDPTP, are investigated by density functional theory and time-dependent density functional theory. The research purpose is to rationalize the relationship between…
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Keywords:
electronic structures;
effects electronic;
photovoltaic performances;
benzodithiophene based ... See more keywords
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Published in 2021 at "Molecular Crystals and Liquid Crystals"
DOI: 10.1080/15421406.2021.1904708
Abstract: Abstract Four novel inclusion compounds of (C2H5)4N+·C12H9O2S-·2H2O (1), (n-C3H7)4N+·C12H9O2S- (2), (n-C3H7)4N+·C12H9O2S-·C12H10O2S (3) and (n-C4H9)4N+·C12H8O2S2-·CH5N3 (4) were prepared by 4, 4’-dihydroxy diphenyl sulfide and various tetraalkylammonium guest templates. Crystal structures of four inclusion compounds are characterized…
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Keywords:
structures four;
crystal structures;
diphenyl sulfide;
dihydroxy diphenyl ... See more keywords
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Published in 2019 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989018017152
Abstract: The crystal structures of four dimethoxybenzaldehyde (C9H10O3) isomers are reported and compared to the previously reported crystal structures of 3,4-dimethoxybenzaldehyde and 2,6-dimethoxybenzaldehyde. All dimethoxybenzaldehyde molecules in the crystal structure are nearly planar.
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Keywords:
dimethoxybenzaldehyde isomers;
dimethoxybenzaldehyde;
structures four;
crystal structures ... See more keywords
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Published in 2022 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989022005151
Abstract: The title compounds show different packing motifs including chains mediated by N—H⋯N and N—H⋯O hydrogen bonds.
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Keywords:
packing motifs;
conformations packing;
motifs crystal;
crystal structures ... See more keywords
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Published in 2023 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989023001093
Abstract: The syntheses and low-temperature crystal structures of four organic salts of 4-(4-nitrophenyl)piperazine are presented.
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Keywords:
structures four;
four nitrophenyl;
nitrophenyl piperazinium;
crystal structures ... See more keywords
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Published in 2023 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989023002529
Abstract: The syntheses and low-temperature (90 K) crystal structures of four organic salts of 4-(4-methoxyphenyl)piperazin-1-ium are presented.
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Keywords:
structures four;
methoxyphenyl piperazin;
crystal structures;
piperazin ium ... See more keywords