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First-principles investigation of electronic, structural, and magnetic properties of Si substituted cerium phosphide compounds CeSi<sub>x</sub>P<sub>1-x</sub>.
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- Journal of Ovonic Research, 2024, v. 20, n. 4, p. 467, doi. 10.15251/JOR.2024.204.467
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Preparation, electronic structure and optical properties of Na<sub>2</sub>GeSe<sub>3</sub> crystals.
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- Semiconductor Physics, Quantum Electronics & Optoelectronics, 2022, v. 25, n. 1, p. 019, doi. 10.15407/spqeo25.01.019
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Electronic structure of 2H-SnSe<sub>2</sub>: ab initio modeling and comparison with experiment.
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- Semiconductor Physics, Quantum Electronics & Optoelectronics, 2016, v. 19, n. 1, p. 98, doi. 10.15407/spqeo19.01.098
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Magnetotransport of dirty-limit van Hove singularity quasiparticles.
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- Communications Physics, 2021, v. 4, n. 1, p. 1, doi. 10.1038/s42005-020-00504-0
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Strong odd-frequency correlations in fully gapped Zeeman-split superconductors.
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- Scientific Reports, 2015, p. 15483, doi. 10.1038/srep15483
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Europium Luminescence: Electronic Densities and Superdelocalizabilities for a Unique Adjustment of Theoretical Intensity Parameters.
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- Scientific Reports, 2015, p. 13695, doi. 10.1038/srep13695
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Structural, mechanical, and electronic properties of Rh<sub>2</sub>B and RhB<sub>2</sub>: first-principles calculations.
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- Scientific Reports, 2015, p. 10500, doi. 10.1038/srep10500
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Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques.
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- Scientific Reports, 2015, p. 11466, doi. 10.1038/srep11466
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Quantum molecular dynamics study of expanded beryllium: Evolution from warm dense matter to atomic fluid.
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- Scientific Reports, 2014, p. 1, doi. 10.1038/srep05898
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Comparative Study of the Structural and Electronic Properties of Orthorhombic CH<sub>3</sub>NH<sub>3</sub>PMI<sub>3</sub> Hybrid Perovskite for Solar Cell Applications.
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- Nigerian Journal of Technology, 2021, v. 40, n. 4, p. 616, doi. 10.4314/njt.v40i4.8
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Influence of multi-walled carbon nanotubes in polytetrafluoroethylene on the parameters of electronic structure and absorption of ultra-high-frequency radiation.
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- Applied Nanoscience, 2023, v. 13, n. 7, p. 4977, doi. 10.1007/s13204-022-02659-4
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Atomistic nature of amorphous graphite.
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- Physics & Chemistry of Glasses: European Journal of Glass Science & Technology Part B, 2023, v. 64, n. 1, p. 16, doi. 10.13036/17533562.64.1.18
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A Crystalline 2D Fullerene‐Based Metal Halide Semiconductor for Efficient and Stable Ideal‐bandgap Perovskite Solar Cells.
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- Advanced Energy Materials, 2024, v. 14, n. 23, p. 1, doi. 10.1002/aenm.202400582
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Transport Properties of Strongly Correlated Fermi Systems.
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- Symmetry (20738994), 2023, v. 15, n. 11, p. 2055, doi. 10.3390/sym15112055
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Functional and pharmacological induced structural changes of the cystic fibrosis transmembrane conductance regulator in the membrane solved using SAXS.
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- Cellular & Molecular Life Sciences, 2015, v. 72, n. 7, p. 1363, doi. 10.1007/s00018-014-1747-4
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Doping‐induced diffused phase transition triggers gas‐sensing performance of Sn‐doped BaTiO<sub>3</sub> nanostructures.
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- Surface & Interface Analysis: SIA, 2022, v. 54, n. 1, p. 25, doi. 10.1002/sia.7012
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Core level photoemission line shape selection: Atomic adsorbates on iron.
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- Surface & Interface Analysis: SIA, 2020, v. 52, n. 8, p. 507, doi. 10.1002/sia.6770
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Theoretical study of the band structure of 2H-SiC and 4H-SiC of silicon carbide polytypes.
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- Condensed Matter Physics, 2021, v. 24, n. 2, p. 1, doi. 10.5488/CMP.24.23706
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Total energy calculation for the metallic hcp phase of Zn in the bulk, layered, and quantum dot limits.
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- Condensed Matter Physics, 2020, v. 23, n. 3, p. 1, doi. 10.5488/CMP.23.33701
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Electronic and Optical Properties of Al, Eu Single-Doped and Al-Eu Co-Doped ZnO.
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- JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2021, v. 73, n. 1, p. 373, doi. 10.1007/s11837-020-04494-w
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The π-Back-Bonding Modulation and Its Impact in the Electronic Properties of Cu<sup>II</sup> Antineoplastic Compounds: An Experimental and Theoretical Study.
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- Chemistry - A European Journal, 2014, v. 20, n. 42, p. 13730, doi. 10.1002/chem.201402775
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Crystal and Electronic Structure of the Lithium-Rich Silver Silicide Li<sub>12</sub>Ag<sub>1− x</sub>Si<sub>4</sub> ( x=0.15).
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- Chemistry - A European Journal, 2013, v. 19, n. 49, p. 16528, doi. 10.1002/chem.201302574
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A New Descriptor for Complicated Effects of Electronic Density of States on Ion Migration.
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- Advanced Functional Materials, 2023, v. 33, n. 29, p. 1, doi. 10.1002/adfm.202300445
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Theoretical study of the mechanical and electronic properties of [111]-Si nanowires with interstitial lithium.
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- Journal of Materials Science: Materials in Electronics, 2018, v. 29, n. 18, p. 15795, doi. 10.1007/s10854-018-9331-6
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DFT study of metal cation-induced hydrogelation of cellulose nanofibrils.
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- Cellulose, 2014, v. 21, n. 3, p. 1091, doi. 10.1007/s10570-014-0254-y
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Tunneling Spectroscopy for Electronic Bands in Multi-Walled Carbon Nanotubes with Van Der Waals Gap.
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- Molecules, 2021, v. 26, n. 8, p. 2128, doi. 10.3390/molecules26082128
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Monitoring of Nonadiabatic Effects in Individual Chromophores by Femtosecond Double-Pump Single-Molecule Spectroscopy: A Model Study.
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- Molecules, 2019, v. 24, n. 2, p. 231, doi. 10.3390/molecules24020231
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Electronic structure of Gd-doped MgO.
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- Journal of Experimental & Theoretical Physics, 2016, v. 122, n. 2, p. 338, doi. 10.1134/S1063776116010039
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Phonons and the electronic gap in FeSi.
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- Journal of Experimental & Theoretical Physics, 2014, v. 118, n. 2, p. 242, doi. 10.1134/S1063776114020034
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Electron momentum density, band structure, and structural properties of SrS.
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- Journal of Experimental & Theoretical Physics, 2013, v. 117, n. 4, p. 747, doi. 10.1134/S1063776113120078
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Density Functional Theory Study of the Electronic Structures of Galena.
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- Processes, 2023, v. 11, n. 2, p. 619, doi. 10.3390/pr11020619
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First principles study of L1<sub>0</sub> FeNi at the Earth's core conditions.
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- High Temperatures - High Pressures, 2017, v. 46, n. 2, p. 141
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Ab initio studies of thermal and superconducting properties of Ti<sub>3</sub>M intermetallic compounds (M = Au, Pt and Ir).
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- High Temperatures - High Pressures, 2015, v. 44, n. 2, p. 125
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Ab initio studies of thermal and superconducting properties of Ti<sub>3</sub>M intermetallic compounds (M = Au, Pt and Ir).
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- High Temperatures - High Pressures, 2015, v. 44, n. 2, p. 125
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Chemical Bonding in the Catalytic Platform Material Ga<sub>1‐x</sub>Sn<sub>x</sub>Pd<sub>2</sub>.
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- ChemistryOpen, 2022, v. 11, n. 12, p. 1, doi. 10.1002/open.202200185
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The effects of alkaline-earth-metal-element doping on the thermoelectric properties of β-Zn<sub>4</sub>Sb<sub>3</sub>.
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- European Physical Journal - Applied Physics, 2022, v. 97, p. 1, doi. 10.1051/epjap/2022210237
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Structural, electronic and magnetic properties of Fe, Co, Ni monatomic nanochains encapsulated in BeO nanotubes bundle.
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- European Physical Journal - Applied Physics, 2014, v. 65, n. 2, p. 00, doi. 10.1051/epjap/2013130016
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Long wavelength absorbing carbostyrils as test cases for different TDDFT procedures and solvent models.
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- Journal of Molecular Modeling, 2014, v. 20, n. 5, p. 1, doi. 10.1007/s00894-014-2217-5
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Ab-initio study of anisotropic and chemical surface modifications of β-SiC nanowires.
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- Journal of Molecular Modeling, 2013, v. 19, n. 5, p. 2043, doi. 10.1007/s00894-012-1605-y
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- Article
The Zintl Phase Cs<sub>7</sub>NaSi<sub>8</sub> - From NMR Signal Line Shape Analysis and Quantum Mechanical Calculations to Chemical Bonding.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2014, v. 640, n. 11, p. 2169, doi. 10.1002/zaac.201400194
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Density-functional theory of material design: fundamentals and applications-I.
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- Oxford Open Materials Science, 2021, v. 1, n. 1, p. 1, doi. 10.1093/oxfmat/itab018
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Ab Initio Study of Structural, Electronic, and Thermal Properties of Pt/Pd-Based Alloys.
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- Condensed Matter, 2023, v. 8, n. 3, p. 76, doi. 10.3390/condmat8030076
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Boosted on-chip energy storage with transistors.
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- National Science Review, 2022, v. 9, n. 10, p. 1, doi. 10.1093/nsr/nwac161
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Effect of Amorphisation on the Thermal Properties of Nanostructured Membranes.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2017, v. 72, n. 2, p. 189, doi. 10.1515/zna-2016-0384
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The Calculation of the Band Structure in 3D Phononic Crystal with Hexagonal Lattice.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2015, v. 70, n. 12, p. 979, doi. 10.1515/zna-2015-0353
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Structural, Mechanical and Magneto-Electronic Properties of the Ternary Sodium Palladium and Platinum Oxides.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2015, v. 70, n. 10, p. 815, doi. 10.1515/zna-2015-0240
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Electronic, Thermal, and Superconducting Properties of Metal Nitrides (MN) and Metal Carbides (MC) (M=V, Nb, Ta) Compounds by First Principles Studies.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2015, v. 70, n. 9, p. 721, doi. 10.1515/zna-2015-0126
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- Article
First-Principles Calculations of P-B Co-Doped Cluster N-Type Diamond.
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- Crystals (2073-4352), 2024, v. 14, n. 5, p. 467, doi. 10.3390/cryst14050467
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Investigation on Structural, Tensile Properties and Electronic of Mg–X (X = Zn, Ag) Alloys by the First-Principles Method.
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- Crystals (2073-4352), 2023, v. 13, n. 5, p. 820, doi. 10.3390/cryst13050820
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Prediction of Superconductivity in Clathrate Er Hydrides under High Pressure.
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- Crystals (2073-4352), 2023, v. 13, n. 5, p. 792, doi. 10.3390/cryst13050792
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