Found: 26
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DFT studies for optoelectronic properties of pure l-alanine and doped with Li.
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- Journal of Materials Science: Materials in Electronics, 2016, v. 27, n. 5, p. 4887, doi. 10.1007/s10854-016-4372-1
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- Article
Cobalt phthalocyanine polymer for optoelectronic and thermoelectric applications.
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- Journal of Materials Science: Materials in Electronics, 2019, v. 30, n. 20, p. 18720, doi. 10.1007/s10854-019-02225-9
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- Article
Structural, electronical and thermoelectric properties of CdGaS compound under high pressures by mBJ approach.
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- Journal of Materials Science: Materials in Electronics, 2017, v. 28, n. 21, p. 16476, doi. 10.1007/s10854-017-7559-1
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- Article
Optoelectronic and thermoelectric response of CaAlSb to shift of band gap from direct to indirect.
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- Journal of Materials Science: Materials in Electronics, 2017, v. 28, n. 20, p. 14954, doi. 10.1007/s10854-017-7368-6
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- Article
First-principles study of the optical properties of pure a-Al2O3 and La aluminates.
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- European Physical Journal B: Condensed Matter, 2005, v. 43, n. 4, p. 439, doi. 10.1140/epjb/e2005-00076-8
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- Article
The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe.
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- Journal of Chemistry, 2016, p. 1, doi. 10.1155/2016/8160169
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- Article
Effect of Substituted Ca on the Thermoelectric and Optoelectronic Properties of NaRhO Under Pressure.
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- Journal of Electronic Materials, 2018, v. 47, n. 3, p. 2009, doi. 10.1007/s11664-017-6002-y
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- Article
Electronic Band Structures of the Highly Desirable III-V Semiconductors: TB-mBJ DFT Studies.
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- Journal of Electronic Materials, 2016, v. 45, n. 7, p. 3314, doi. 10.1007/s11664-016-4492-7
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- Article
First principle study of the optoelectronic properties of pyrazinamide drug.
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- Optical & Quantum Electronics, 2023, v. 55, n. 8, p. 1, doi. 10.1007/s11082-023-05041-y
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- Article
The electronic structure of graphene like C<sub>20</sub>H<sub>10</sub>CdN<sub>6</sub>O<sub>8.5</sub> metal–organic nanotube (MONT) based on FP-LAPW: for optoelectronic and thermoelectric devices.
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- Optical & Quantum Electronics, 2022, v. 54, n. 7, p. 1, doi. 10.1007/s11082-022-03848-9
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- Article
Optical, electronic structure, magnetic, NMR and hyperfine field properties of BiMPO<sub>5</sub> and BiM<sub>2</sub>PO<sub>6</sub> compounds (M=Ni, Co, Mn, Cu): a comparative DFT study.
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- Optical & Quantum Electronics, 2022, v. 54, n. 6, p. 1, doi. 10.1007/s11082-022-03741-5
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- Article
Effects of the Hubbard potential on the NMR shielding and optoelectronic properties of BiMnVO<sub>5</sub> compound.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-33034-0
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- Article
Theoretical investigation of thermoelectric and elastic properties of intermetallic compounds ScTM (TM = Cu, Ag, Au and Pd).
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2018, v. 32, n. 2, p. -1, doi. 10.1142/S0217979218500042
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- Article
First-principles studies of pure and fluorine substituted alanines.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2016, v. 30, n. 14, p. -1, doi. 10.1142/S021797921650079X
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- Article
AB INITIO STUDY OF OPTOELECTRONIC PROPERTIES OF SPINEL ZnAl<sub>2</sub>O<sub>4</sub> BEYOND GGA AND LDA.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2012, v. 26, n. 32, p. 1250198-1, doi. 10.1142/S0217979212501986
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- Article
ELECTRONIC AND THERMOELECTRIC PROPERTIES OF PURE AND ALLOYS In<sub>2</sub>O<sub>3</sub> TRANSPARENT CONDUCTORS.
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- Modern Physics Letters B, 2010, v. 24, n. 21, p. 2251, doi. 10.1142/S0217984910024584
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- Article
Role of the Crystal Lattice Constants and Band Structures in the Optoelectronic Spectra of CdGa<sub>2</sub>S<sub>4</sub> by DFT Approaches.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2017, v. 643, n. 13, p. 839, doi. 10.1002/zaac.201700027
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- Article
Comprehensive SPHYB and B3LYP-DFT Studies of Two Types of Ferrocene.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2017, v. 643, n. 6, p. 420, doi. 10.1002/zaac.201600423
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- Article
Optical properties of pure and transition metal-doped indium oxide.
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- Physica Status Solidi (B), 2009, v. 246, n. 5, p. 1072, doi. 10.1002/pssb.200844359
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- Article
Effect of substituted IIIB transition metals on electronic properties of indium oxide by first-principles calculations.
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- Physica Status Solidi (B), 2007, v. 244, n. 2, p. 619, doi. 10.1002/pssb.200642411
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- Article
High-performance optoelectronic and thermoelectric properties of transparent conductors based on Tl<sub>2</sub>O<sub>3</sub> under pressure.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-58657-9
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- Article
Ab initio studies of optoelectronic properties of fluorine-substituted ferrocene.
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- Research on Chemical Intermediates, 2016, v. 42, n. 4, p. 3743, doi. 10.1007/s11164-015-2242-8
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- Article
Correction to: DFT study of sertraline hydrochloride antidepressant drug.
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- 2023
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- Correction Notice
DFT study of sertraline hydrochloride antidepressant drug.
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- Journal of Molecular Modeling, 2023, v. 29, n. 5, p. 1, doi. 10.1007/s00894-023-05540-5
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- Article
Fluorinated derivatives of tetrahydroaltersolanol molecule on COVID-19, HIV, and HTLV protease by DFT and molecular docking approaches.
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- Journal of Molecular Modeling, 2022, v. 28, n. 11, p. 1, doi. 10.1007/s00894-022-05340-3
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- Article
DFT investigations of AgMC<sub>7</sub>H<sub>10</sub>N<sub>2</sub> (M = Cl, Br, and I) metal organic molecules: NMR, optoelectronic, and transport properties.
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- Journal of Molecular Modeling, 2022, v. 28, n. 6, p. 1, doi. 10.1007/s00894-022-05114-x
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- Article