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MoleculesWang Y, Pan X, Liu T.
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From Molecular Crystals to Electronic Devices: Investigating Structure-Property Relationships of Iron(III) and Cobalt(II) Coordination Complexes. [PDF]
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Dithiolate auxiliary ligands as electronic modulators in ruthenium-based sensitizers: a DFT and TD-DFT study. [PDF]
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First-principles study to explore the long-range exciton dissociation and reduced binding energy in dicyanovinylene-indanone-based electron transport layers for PSCs. [PDF]
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Molecular modeling and quantum chemical calculation study of derived peptides from a Bowman-Birk inhibitor in complexes with trypsin. [PDF]
J Mol ModelBenício LFMA +3 more
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2-(5,6-Difluoro-3-oxo-2,3-dihydro-1<i>H</i>-inden-1-ylidene)-malononitrile and Naphtho[2,3-<i>b</i>]thiophene Diimide End-Capped Porphyrin Derivatives as Panchromatic Light-Harvesting Absorbers and Non-Fullerene Acceptors in Organic Solar Cells. [PDF]
ACS OmegaBusireddy MR +4 more
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Electronic and structural properties of ZnO, Fe₂O₃, and Al₂O₃ clusters interacted with graphene oxide: a combined DFT and experimental study. [PDF]
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Versatile helicene building blocks for organic electronics. [PDF]
Chem SciMow RK, Schuster NJ, Bao Z.
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Advancing dye sensitized solar cell efficiency and computational insights into porphyrin based dyes. [PDF]
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