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A DFT/TD-DFT Study on Pyridine-Anchored Schiff Base Molecules for DSSC Applications.
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- Gazi University Journal of Science, 2024, v. 37, n. 3, p. 1480, doi. 10.35378/gujs.1365988
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- Article
Electron Transfer Enhanced by a Minimal Energetic Driving Force at the Organic‐Semiconductor Interface.
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- Angewandte Chemie, 2024, v. 136, n. 37, p. 1, doi. 10.1002/ange.202407368
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- Article
Controlled Generation of 9‐Boratriptycene by Lewis Adduct Dissociation: Accessing a Non‐Planar Triarylborane.
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- Angewandte Chemie, 2020, v. 132, n. 30, p. 12502, doi. 10.1002/ange.202003119
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- Article
Crystallization‐Induced Reversal from Dark to Bright Excited States for Construction of Solid‐Emission‐Tunable Squaraines.
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- Angewandte Chemie, 2020, v. 132, n. 25, p. 10222, doi. 10.1002/ange.201914437
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- Article
Role of Electronic and Steric Effects on Ruthenium Catalysts with Bulky NHC Ligands and Relationship with the Z-Selectivity in Olefin Metathesis.
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- Catalysts (2073-4344), 2023, v. 13, n. 9, p. 1305, doi. 10.3390/catal13091305
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Role of edge nitrogen doping in nonradiative decay dynamics of graphene quantum dots: a Fermi's golden rule analysis.
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- Applied Nanoscience, 2021, v. 11, n. 12, p. 2837, doi. 10.1007/s13204-021-02239-y
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Minimizing non-radiative decay in molecular aggregates through control of excitonic coupling.
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- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-40716-w
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A molecular descriptor of intramolecular noncovalent interaction for regulating optoelectronic properties of organic semiconductors.
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- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-38078-4
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- Article
ELECTROCATALYTIC REDUCTION OF WATER CLUSTERS ON BINARY ALLOYS OF MOLYBDENUM WITH IRON SUBGROUP METALS IN AN ALKALINE MEDIUM.
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- Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni, 2024, v. 15, n. 1, p. 35, doi. 10.15407/hftp15.01.035
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- Article
Multi‐Selenophene Strategy Enables Dimeric Acceptors‐Based Organic Solar Cells with over 18.5% Efficiency.
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- Advanced Energy Materials, 2024, v. 14, n. 30, p. 1, doi. 10.1002/aenm.202400938
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Static and Dynamic Disorder of Charge Transfer States Probed by Optical Spectroscopy.
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- Advanced Energy Materials, 2022, v. 12, n. 15, p. 1, doi. 10.1002/aenm.202103063
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- Article
The Gouy-Stodola Theorem—From Irreversibility to Sustainability—The Thermodynamic Human Development Index.
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- Sustainability (2071-1050), 2021, v. 13, n. 7, p. 3995, doi. 10.3390/su13073995
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Effect of metalation on some graphene nanoribbons for potential application as donor in organic photovoltaic cells.
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- Journal of Materials Science: Materials in Electronics, 2020, v. 31, n. 24, p. 21923, doi. 10.1007/s10854-020-04696-7
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- Article
Thermodynamic analysis of cellulose complex in NaOH–urea solution using reference interaction site model.
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- Cellulose, 2020, v. 27, n. 12, p. 6767, doi. 10.1007/s10570-020-03202-w
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- Article
Defining the transfer coefficient in electrochemistry: An assessment (IUPAC Technical Report).
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- Pure & Applied Chemistry, 2014, v. 86, n. 2, p. 245, doi. 10.1515/pac-2014-5026
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- Article
Optical Spectra of Oligofurans: A Theoretical Approach to the Transition Energies, Reorganization Energies, and the Vibronic Activity.
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- Molecules, 2021, v. 26, n. 23, p. 7163, doi. 10.3390/molecules26237163
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- Article
Benzotrifuran based organic molecules for optoelectronic and charge transport properties for organic electronic devices.
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- Journal of the Chinese Chemical Society, 2024, v. 71, n. 7, p. 643, doi. 10.1002/jccs.202400088
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Comments on some chemical properties of diphenyl disulfide and its derivatives: II.Correlating the studies of reductive cleavage of disulfide bonds with the studies of anti‐human immunodeficiency virus activity with lowest unoccupied molecular orbital properties
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- Journal of the Chinese Chemical Society, 2020, v. 67, n. 11, p. 2149, doi. 10.1002/jccs.202000044
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- Article
Vertical ocean heat redistribution sustaining sea-ice concentration trends in the Ross Sea.
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- Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-00347-4
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- Article
Effects of the Chalcogenide Identity in N‐Aryl Phenochalcogenazine Photoredox Catalysts.
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- ChemCatChem, 2022, v. 14, n. 17, p. 1, doi. 10.1002/cctc.202200485
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Determination of reaction and reorganization free energies of electron transfer reactions under restricted geometry conditions.
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- Progress in Reaction Kinetics & Mechanism, 2012, v. 37, n. 3, p. 203, doi. 10.3184/146867812X13382026560489
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- Article
Marcus Cross-Relationship Probed by Time-Resolved CIDNP.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 18, p. 13860, doi. 10.3390/ijms241813860
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Semiclassical Theory of Multistage Nonequilibrium Electron Transfer in Macromolecular Compounds in Polar Media with Several Relaxation Timescales.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 24, p. 15793, doi. 10.3390/ijms232415793
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- Article
On destabilization of the Fenna-Matthews-Olson complex of Chlorobaculum tepidum.
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- Photosynthesis Research, 2014, v. 120, n. 3, p. 323, doi. 10.1007/s11120-014-9990-y
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- Article
Thermodynamic properties of some biphenyls.
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- Journal of Thermal Analysis & Calorimetry, 2018, v. 133, n. 2, p. 1167, doi. 10.1007/s10973-018-7112-3
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- Article
Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge.
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- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 4, p. 475, doi. 10.1007/s10822-014-9711-9
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- Article
Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species.
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- Journal of Biological Inorganic Chemistry (JBIC), 2017, v. 22, n. 4, p. 615, doi. 10.1007/s00775-017-1455-2
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- Article
Biphenyl Diimide Based Novel Blue Emitters with Aggregation‐Induced Blue‐Shifted Emission Characteristics.
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- ChemPhotoChem, 2020, v. 4, n. 1, p. 59, doi. 10.1002/cptc.201900202
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- Article
In Silico Investigation of the Aggregation‐Caused Quenching: the "Tolane‐Based Molecule" Case.
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- ChemPhotoChem, 2019, v. 3, n. 9, p. 794, doi. 10.1002/cptc.201900117
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- Article
Charge Transport in Organic Semiconducting Crystals Exhibiting TADF: Insight from Quantum Chemical Calculations.
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- Crystals (2073-4352), 2023, v. 13, n. 1, p. 55, doi. 10.3390/cryst13010055
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Understanding the effect of terminal electron-deficient group on the performance of small molecule acceptor in organic solar cells.
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- Journal of Ultra Chemistry (Chemistry, Chemical Sciences Chemical Engineering), 2019, v. 15, n. 6, p. 54
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Study of Seebeck coefficient in organic materials under nonlinear temperature distributions.
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- Modern Physics Letters B, 2023, v. 37, n. 29, p. 1, doi. 10.1142/S0217984923501026
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- Article
The Field of Main Group Lewis Acids and Lewis Superacids: Important Basics and Recent Developments.
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- Chemistry - A European Journal, 2024, v. 30, n. 1, p. 1, doi. 10.1002/chem.202302457
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- Article
Highly Efficient Luminescence from a Red Thermally Activated Delayed Fluorescence Emitter with Flexible Conformation of Ancillary Groups.
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- Chemistry - A European Journal, 2023, v. 29, n. 56, p. 1, doi. 10.1002/chem.202301921
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- Article
Stable Spiro‐Fused Diarylaminyl Radicals: A New Type of a Neutral Mixed‐Valence System.
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- Chemistry - A European Journal, 2023, v. 29, n. 43, p. 1, doi. 10.1002/chem.202301250
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- Article
Orbital Nature of Carboionic Monoradicals Made from Diradicals.
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- Chemistry - A European Journal, 2023, v. 29, n. 27, p. 1, doi. 10.1002/chem.202300388
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- Article
Molecular Design of A−D−A Electron Acceptors Towards Low Energy Loss for Organic Solar Cells.
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- Chemistry - A European Journal, 2023, v. 29, n. 18, p. 1, doi. 10.1002/chem.202203356
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- Article
Robust Spirobifluorene Core Based Hole Transporters with High Mobility for Long‐Life Green Phosphorescent Organic Light‐Emitting Devices.
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- Chemistry - A European Journal, 2023, v. 29, n. 1, p. 1, doi. 10.1002/chem.202202636
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- Article
Controlling Electronic Events Through Rational Structural Design in Subphthalocyanine–Corrole Dyads: Synthesis, Characterization, and Photophysical Properties.
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- Chemistry - A European Journal, 2022, v. 28, n. 60, p. 1, doi. 10.1002/chem.202201552
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- Article
Synthesis of Intramolecular P/Al‐Based Frustrated Lewis Pairs via Aluminum‐Tin‐Exchange and their Reactivity toward CO<sub>2</sub>.
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- Chemistry - A European Journal, 2022, v. 28, n. 25, p. 1, doi. 10.1002/chem.202200404
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- Article
NIR‐II Fluorescent Brightness Promoted by "Ring Fusion" for the Detection of Intestinal Inflammation.
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- Chemistry - A European Journal, 2021, v. 27, n. 51, p. 13085, doi. 10.1002/chem.202101767
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- Article
Symmetry Effects in Photoinduced Electron Transfer in Chlorin‐Quinone Dyads: Adiabatic Suppression in the Marcus Inverted Region.
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- Chemistry - A European Journal, 2020, v. 26, n. 71, p. 17120, doi. 10.1002/chem.202002736
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- Article
Di‐ and Tetracyano‐Substituted Pyrene‐Fused Pyrazaacenes: Aggregation in the Solid State.
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- Chemistry - A European Journal, 2020, v. 26, n. 50, p. 11634, doi. 10.1002/chem.202002382
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On an inequality of Marcus.
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- Mathematical Notes, 2015, v. 97, n. 3/4, p. 644, doi. 10.1134/S0001434615030360
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Computational investigation of intramo lecular reorganization energy in diketopyrrolopyrrole (DPP) derivatives.
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- Turkish Journal of Chemistry, 2018, v. 42, n. 3, p. 869, doi. 10.3906/kim-1711-21
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The impact of functionalization of organic semiconductors by electron donating groups on the reorganization energy.
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- European Physical Journal D (EPJ D), 2019, v. 73, n. 6, p. N.PAG, doi. 10.1140/epjd/e2019-100020-1
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- Article
Fluorinating π‐Extended Molecular Acceptors Yields Highly Connected Crystal Structures and Low Reorganization Energies for Efficient Solar Cells.
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- Advanced Energy Materials, 2020, v. 10, n. 23, p. 1, doi. 10.1002/aenm.202000635
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- Article
Las empresas petroleras chinas y su contribución a la eficiencia energética nacional.
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- Portes: Revista Mexicana de Estudios Sobre la Cuenca del Pacifico, 2012, v. 6, n. 12, p. 49
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- Article
Effects of π‐conjugation on the charge‐transport properties of hole‐transporting materials featuring diphenylamine‐π‐quinacridone for perovskite solar cells: A theoretical study.
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- Bulletin of the Korean Chemical Society, 2022, v. 43, n. 5, p. 658, doi. 10.1002/bkcs.12504
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- Article
Development of a MATLAB Algorithm for Calculating Reorganization Energy Utilizing Rectilinear Normal Mode Displacements: Investigation of the Effect of Substituents on Electron and Hole Reorganization Energies of Styryl‐Capped Silicon Quantum Dots.
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- Bulletin of the Korean Chemical Society, 2021, v. 42, n. 3, p. 435, doi. 10.1002/bkcs.12216
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- Article