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Electronic Structure of Mg-, Si-, and Zn-Doped SnO 2 Nanowires: Predictions from First Principles.
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- Materials (1996-1944), 2024, v. 17, n. 10, p. 2193, doi. 10.3390/ma17102193
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Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide.
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- Crystals (2073-4352), 2024, v. 14, n. 2, p. 161, doi. 10.3390/cryst14020161
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Modeling of the Lattice Dynamics in Strontium Titanate Films of Various Thicknesses: Raman Scattering Studies.
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- Materials (1996-1944), 2023, v. 16, n. 18, p. 6207, doi. 10.3390/ma16186207
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The Electronic Structures and Energies of the Lowest Excited States of the N s 0 , N s + , N s − and N s -H Defects in Diamond.
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- Materials (1996-1944), 2023, v. 16, n. 5, p. 1979, doi. 10.3390/ma16051979
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Vacancy Defects in Ga 2 O 3 : First-Principles Calculations of Electronic Structure.
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- Materials (1996-1944), 2021, v. 14, n. 23, p. 7384, doi. 10.3390/ma14237384
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- Article
Vibrational Analysis of Paraelectric–Ferroelectric Transition of LiNbO 3 : An Ab-Initio Quantum Mechanical Treatment.
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- Symmetry (20738994), 2021, v. 13, n. 9, p. 1650, doi. 10.3390/sym13091650
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Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra.
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- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 806, doi. 10.1002/jcc.26500
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Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectra.
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- Journal of Computational Chemistry, 2020, v. 41, n. 17, p. 1638, doi. 10.1002/jcc.26206
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First Principles Simulations on Migration Paths of Oxygen Interstitials in MgAl<sub>2</sub>O<sub>4</sub>.
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- Physica Status Solidi (B), 2019, v. 256, n. 5, p. N.PAG, doi. 10.1002/pssb.201800282
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