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High electron mobility due to extra π-conjugation in the end-capped units of non-fullerene acceptor molecules: a DFT/TD-DFT-based prediction.
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- Journal of Molecular Modeling, 2022, v. 28, n. 9, p. 1, doi. 10.1007/s00894-022-05283-9
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- Article
Efficient designing of half-moon-shaped chalcogen heterocycles as non-fullerene acceptors for organic solar cells.
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- Journal of Molecular Modeling, 2022, v. 28, n. 5, p. 1, doi. 10.1007/s00894-022-05116-9
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- Article
Correction to: Quantum chemical designing of novel fullerene‑free acceptor molecules for organic solar cell applications.
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- 2022
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- Correction Notice
Quantum chemical designing of novel fullerene-free acceptor molecules for organic solar cell applications.
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- Journal of Molecular Modeling, 2022, v. 28, n. 3, p. 1, doi. 10.1007/s00894-022-05062-6
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- Article
Role of acceptor guests in tuning optoelectronic properties of benzothiadiazole core based non-fullerene acceptors for high-performance bulk-heterojunction organic solar cells.
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- Journal of Molecular Modeling, 2021, v. 27, n. 8, p. 1, doi. 10.1007/s00894-021-04843-9
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- Article
Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells.
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- Journal of Molecular Modeling, 2020, v. 26, n. 6, p. 1, doi. 10.1007/s00894-020-04386-5
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- Article
Zinc-Doped Boron Phosphide Nanocluster as Efficient Sensor for SO<sub>2</sub>.
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- Journal of Chemistry, 2020, p. 1, doi. 10.1155/2020/2629596
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- Article
DFT based modeling of asymmetric non-fullerene acceptors for high-performance organic solar cell.
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- Optical & Quantum Electronics, 2022, v. 54, n. 9, p. 1, doi. 10.1007/s11082-022-03932-0
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- Article
Butterfly-shaped hole transport materials with outstanding photovoltaic properties for organic solar cells.
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- Optical & Quantum Electronics, 2021, v. 53, n. 9, p. 1, doi. 10.1007/s11082-021-03162-w
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- Article
End-capped engineering of truxene core based acceptor materials for high performance organic solar cells: theoretical understanding and prediction.
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- Optical & Quantum Electronics, 2021, v. 53, n. 2, p. 1, doi. 10.1007/s11082-021-02747-9
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- Article
Molecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic solar cells.
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- Optical & Quantum Electronics, 2020, v. 52, n. 8, p. N.PAG, doi. 10.1007/s11082-020-02482-7
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- Article
Designing and Encapsulation of Inorganic Al12N12 Nanoclusters with Be, Mg, and Ca Metals for Efficient Hydrogen Adsorption: A Step Forward Towards Hydrogen Storage Materials.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 7, p. 687, doi. 10.1142/S2737416521500411
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- Article
Designing of Inorganic Al<sub>12</sub>N<sub>12</sub> Nanocluster with Fe, Co, Ni, Cu and Zn Metals for Efficient Hydrogen Storage Materials.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 4, p. 359, doi. 10.1142/S2737416521500186
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- Article
Efficient Cu Decorated Inorganic B<sub>12</sub>P<sub>12</sub> Nanoclusters for Sensing Toxic COCl<sub>2</sub> Gas: A Detailed DFT Study.
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- Journal of Computational Biophysics & Chemistry, 2021, v. 20, n. 1, p. 85, doi. 10.1142/S273741652150006X
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- Article
Learning from Fullerenes and Predicting for Y6: Machine Learning and High‐Throughput Screening of Small Molecule Donors for Organic Solar Cells.
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- Energy Technology, 2022, v. 10, n. 6, p. 1, doi. 10.1002/ente.202101096
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- Article
Novel Star‐Shaped Benzotriindole‐Based Nonfullerene Donor Materials: Toward the Development of Promising Photovoltaic Compounds for High‐Performance Organic Solar Cells.
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- Energy Technology, 2022, v. 10, n. 3, p. 1, doi. 10.1002/ente.202100751
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- Article
End‐Capped Molecular Engineering of S‐Shaped Hepta‐Ring‐Containing Fullerene‐Free Acceptor Molecules with Remarkable Photovoltaic Characteristics for Highly Efficient Organic Solar Cells.
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- Energy Technology, 2021, v. 9, n. 5, p. 1, doi. 10.1002/ente.202001090
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- Article
Impact of halogens on electronic and photovoltaic properties of organic semiconductors: A multiscale computational modeling.
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- Journal of Physical Organic Chemistry, 2022, v. 35, n. 8, p. 1, doi. 10.1002/poc.4388
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- Article
Physical‐organic aspects along with linear and nonlinear optical properties of benzene sulfonamide compounds: In silico analysis.
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- Journal of Physical Organic Chemistry, 2022, v. 35, n. 4, p. 1, doi. 10.1002/poc.4313
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- Article
Quantum chemical design of near‐infrared sensitive fused ring electron acceptors containing selenophene as π‐bridge for high‐performance organic solar cells.
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- Journal of Physical Organic Chemistry, 2021, v. 34, n. 8, p. 1, doi. 10.1002/poc.4204
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- Article
Designing of U‐shaped acceptor molecules for indoor and outdoor organic solar cell applications.
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- Journal of Physical Organic Chemistry, 2021, v. 34, n. 8, p. 1, doi. 10.1002/poc.4210
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- Article
Molecular designing of high‐performance 3D star‐shaped electron acceptors containing a truxene core for nonfullerene organic solar cells.
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- Journal of Physical Organic Chemistry, 2021, v. 34, n. 1, p. 1, doi. 10.1002/poc.4119
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- Article
The use of machine learning, density functional theory, and molecular dynamics simulations for the designing and screening of efficient small molecule donors for organic solar cells.
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- International Journal of Quantum Chemistry, 2022, v. 122, n. 23, p. 1, doi. 10.1002/qua.26998
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- Article
Designing spirobifullerene core based three‐dimensional cross shape acceptor materials with promising photovoltaic properties for high‐efficiency organic solar cells.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 22, p. 1, doi. 10.1002/qua.26377
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- Article
Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells.
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- Journal of Materials Science, 2021, v. 56, n. 8, p. 5113, doi. 10.1007/s10853-020-05567-6
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- Article
Designing Triphenylamine‐Configured Donor Materials with Promising Photovoltaic Properties for Highly Efficient Organic Solar Cells.
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- ChemistrySelect, 2020, v. 5, n. 25, p. 7358, doi. 10.1002/slct.202001989
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- Article
Enhancement in Photovoltaic Properties of N,N‐diethylaniline based Donor Materials by Bridging Core Modifications for Efficient Solar Cells.
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- ChemistrySelect, 2020, v. 5, n. 17, p. 5022, doi. 10.1002/slct.202000096
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- Article
Enhancement in the Photovoltaic Properties of Hole Transport Materials by End‐Capped Donor Modifications for Solar Cell Applications.
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- Bulletin of the Korean Chemical Society, 2021, v. 42, n. 4, p. 597, doi. 10.1002/bkcs.12238
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- Article