Electronic transitions in noncovalent BODIPY dimers: TD-DFT study von Petrushenko, I.K., Petrushenko, K.B.

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Effect of meso-substituents on the electronic transitions of BODIPY dyes: DFT and RI-CC2 study von Petrushenko, I.K., Petrushenko, K.B.

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Theoretical predictions of the spectroscopic properties of BODIPY dyes: Effects of the fused aromatic and heteroaromatic rings at the b, g bonds von Petrushenko, I.K., Petrushenko, K.B.

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Absorption and fluorescence properties of non-symmetric benzo-, furo-, and thieno-fused structures at the b bonds in the BODIPY frame von Petrushenko, I.K., Petrushenko, K.B.

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Optical properties of bilayer quantum dot models based on coronene and its BN analogues with a BODIPY dye: Theoretical TD-CAM-B3LYP-D3 investigation von Petrushenko, I.K., Petrushenko, K.B.

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Absorption properties of a BODIPY-curved graphene nanoflake system: A theoretical investigation von Petrushenko, I.K., Petrushenko, K.B.

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Adsorption of diatomic molecules on graphene, h-BN and their BNC heterostructures: DFT study von Petrushenko, I.K., Petrushenko, K.B.

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Graphene-BN-organic nanoflake complexes: DFT, IGM and SAPT0 insights von Petrushenko, I.K., Tikhonov, N.I., Petrushenko, K.B.

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Hydrogen adsorption on BN-embedded tetrabenzopentacene as a promising nanoflake for energy storage: Theoretical insights von Petrushenko, I.K., Tsar'kova, A.I., Petrushenko, K.B.

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Valine adsorption on pristine and N-doped graphenes: DFT, AIM, and IGM study von Petrushenko, I K, Tsar'kova, A I, Tikhonov, N I, Petrushenko, K B

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Alkali cations and H2 molecules on BN-doped carbon nanoflakes: Theoretical study von Petrushenko, I.K., Petrushenko, K.B.

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Insertion of molecular hydrogen into slit-shaped carbon pores: theoretical study von Petrushenko, I.K., Petrushenko, K.B.

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Advanced hydrogen adsorption on benzene: Cation-π interaction effects von Petrushenko, I.K., Petrushenko, K.B.

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A nanoboat molecule as a promising adsorbent for molecular trapping: Theoretical insights von Petrushenko, I.K., Petrushenko, K.B.

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Evaluating mutual influences of cation-π interactions and H-bonding: Cases of indole and BN-indole von Petrushenko, I.K., Petrushenko, K.B.

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Bowl-shaped PAHs as gas adsorbents: Hydrogen storage and binding of gaseous pollutants von Petrushenko, I.K.

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Physical adsorption of hydrogen molecules on single-walled carbon nanotubes and carbon-boron-nitrogen heteronanotubes: A comparative DFT study von Petrushenko, I.K., Petrushenko, K.B.

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Hydrogen adsorption on pillar[6]arene: A computational study von Petrushenko, I.K., Tikhonov, N.I., Petrushenko, K.B.

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Hydrogen physisorption on nitrogen-doped graphene and graphene-like boron nitride-carbon heterostructures: a DFT study von Petrushenko, I.K., Petrushenko, K.B.

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Adsorption of diatomic molecules on nitrogenated holey graphene: Theoretical insights von Petrushenko, I.K., Petrushenko, K.B.

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