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Structural, elastic, electronic and optical properties of Cubic NaNbO<sub>3</sub> crystals under pressure.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2018, v. 32, n. 25, p. N.PAG, doi. 10.1142/S021797921850282X
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Studies on the factors of tetragonal sites in and.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 25/26, p. -1, doi. 10.1142/S0217979215420199
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Theoretical investigations of orbital Knight shifts for.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 25/26, p. -1, doi. 10.1142/S0217979215420072
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Theoretical investigations of the factors of orthorhombic site in oxycarbonate phase.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 25/26, p. -1, doi. 10.1142/S0217979215420163
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Theoretical studies on the Knight shifts for the tetragonal site in.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 25/26, p. -1, doi. 10.1142/S0217979215420205
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Investigations on the spin Hamiltonian parameters of Cu(2) site in superconductors.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 25/26, p. -1, doi. 10.1142/S0217979215420187
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INVESTIGATIONS ON THE g FACTORS AND THE SUPERHYPERFINE PARAMETERS FOR THE TETRAGONAL Pd<sup>3+</sup> CENTERS IN AgX (X = Cl, Br).
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2011, v. 25, n. 13, p. 1833, doi. 10.1142/S0217979211058961
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Density functional theory studies on the structures and NO molecule adsorption and dissociation of Rh<sub>m</sub>Pd<sub>n</sub> (m + n = 13) clusters.
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- Journal of Nanoparticle Research, 2023, v. 25, n. 11, p. 1, doi. 10.1007/s11051-023-05884-2
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First-principles study of AuSn (2 ≤ n ≤ 7) clusters: structural, electronic, magnetic, spectral properties, and adsorption properties with O2 and H2O.
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- Journal of Nanoparticle Research, 2020, v. 22, n. 2, p. 1, doi. 10.1007/s11051-019-4746-4
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Theoretical studies of structural, electronic, and magnetic properties for small V<sub>2</sub>F<sub>n</sub><sup>0,−</sup> (2 ≤ n ≤ 7) clusters using first-principles calculations.
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- Journal of Nanoparticle Research, 2019, v. 21, n. 5, p. N.PAG, doi. 10.1007/s11051-019-4537-y
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Investigations on the defect structures for Mn<sup>2+</sup> in CdSe nanocrystals and bulk materials and the criterion of occupation for Mn<sup>2+</sup> in CdX (X = S, Se, Te) nanocrystals.
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- Magnetic Resonance in Chemistry, 2024, v. 62, n. 8, p. 610, doi. 10.1002/mrc.5446
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Theoretical investigations on the defect structures and g factors for V<sup>4+</sup> in 30PbO‐5Bi<sub>2</sub>O<sub>3</sub>‐(65‐x)SiO<sub>2</sub> glasses at different concentrations.
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- Magnetic Resonance in Chemistry, 2022, v. 60, n. 8, p. 836, doi. 10.1002/mrc.5270
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Theoretical studies of the concentration dependences of d-d transition band, g factors, and local distortion for V<sup>4+</sup> in Li<sub>2</sub> O-PbO-B<sub>2</sub>O<sub>3</sub>-P<sub>2</sub>O<sub>5</sub> glasses.
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- Magnetic Resonance in Chemistry, 2022, v. 60, n. 3, p. 398, doi. 10.1002/mrc.5232
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Density functional theory calculations of copper‐doped rutile crystals: Local structural, electronic, optical, and electron paramagnetic resonance properties.
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- Magnetic Resonance in Chemistry, 2022, v. 60, n. 1, p. 104, doi. 10.1002/mrc.5190
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Studies on the local structure and spin Hamiltonian parameters for V<sup>4+</sup> in Na<sub>2</sub>O–PbO–Bi<sub>2</sub>O<sub>3</sub>–SiO<sub>2</sub> glass ceramics.
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- Magnetic Resonance in Chemistry, 2021, v. 59, n. 4, p. 439, doi. 10.1002/mrc.5108
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Studies on the local structures for the trigonal Ni<sup>3+</sup> centers in cathode materials LiAl<sub>y</sub>Co<sub>1-y</sub>O<sub>2</sub> (y = 0, 0.1, 0.5, and 0.8).
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- Magnetic Resonance in Chemistry, 2018, v. 56, n. 9, p. 803, doi. 10.1002/mrc.4738
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DFT calculations of the defect structures, electronic structures, and EPR parameters for three Rh<sup>2+</sup> centers in AgCl.
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- Magnetic Resonance in Chemistry, 2018, v. 56, n. 3, p. 196, doi. 10.1002/mrc.4685
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Investigations of the local distortions and EPR parameters for Cu<sup>2+</sup> in xNa<sub>2</sub>O‐(30–x)K<sub>2</sub>O‐70B<sub>2</sub>O<sub>3</sub> (5 ≤ x ≤ 25 mol%) glasses.
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- Magnetic Resonance in Chemistry, 2018, v. 56, n. 3, p. 190, doi. 10.1002/mrc.4684
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Theoretical studies of the copper gyromagnetic factors for three novel Cu<sup>2+</sup> coordination polymers with bi-triazole ligand.
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- Magnetic Resonance in Chemistry, 2017, v. 55, n. 11, p. 972, doi. 10.1002/mrc.4614
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Electron paramagnetic resonance parameters and local structure for Gd<sup>3+</sup> in KY<sub>3</sub>F<sub>10</sub>.
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- Pramana: Journal of Physics, 2007, v. 69, n. 3, p. 451, doi. 10.1007/s12043-007-0146-x
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Theoretical research of the medical U-type optical fiber sensor covered by the gold nanoparticles.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2021, v. 76, n. 5, p. 385, doi. 10.1515/zna-2020-0218
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Studies of the Electronic, Optical, and Thermodynamic Properties for Metal-Doped LiH Crystals by First Principle Calculations.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2020, v. 75, n. 6, p. 575, doi. 10.1515/zna-2020-0057
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Theoretical Studies of the Defect Structures for Cu(en)<sub>3</sub><sup>2+</sup> and Ru(en)<sub>3</sub><sup>3+</sup> Clusters in Tris(Ethylenediamine) Complexes.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2020, v. 75, n. 3, p. 257, doi. 10.1515/zna-2019-0358
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DFT Calculation of Rhodium-Doped Silver Bromide Crystals: Defect Structures, Photoelectric Property and EPR.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2019, v. 74, n. 1, p. 59, doi. 10.1515/zna-2018-0327
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Theoretical Investigations on the Structural, Electronic and Spectral Properties of VF<sub>n</sub> (n = 1–7) Clusters.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2018, v. 73, n. 12, p. 1091, doi. 10.1515/zna-2018-0102
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Theoretical investigations of the local distortion and spectral properties for VO<sup>2+</sup> in SiO<sub>2</sub> Glass.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2017, v. 72, n. 12, p. 1139, doi. 10.1515/zna-2017-0298
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The DFT Calculations of Structures and EPR Parameters for the Dinuclear Paddle-Wheel Copper(II) Complex {Cu<sub>2</sub>(μ<sub>2</sub>-O<sub>2</sub>CCH<sub>3</sub>)<sub>4</sub>}(OCNH<sub>2</sub>CH<sub>3</sub>) as Powder or Single Crystal.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2017, v. 72, n. 11, p. 985, doi. 10.1515/zna-2017-0236
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Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu<sup>2+</sup> in Alkaline Earth Lead Zinc Phosphate Glasses.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2016, v. 71, n. 8, p. 769, doi. 10.1515/zna-2016-0180
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Studies of the Local Distortions and the EPR Parameters for Cu<sup>2+</sup> in xLi<sub>2</sub>O-(30- x)Na<sub>2</sub>O-69·5B<sub>2</sub>O Glasses.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2016, v. 71, n. 3, p. 249, doi. 10.1515/zna-2015-0453
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The freezing Rènyi quantum discord.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-51206-9
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Theoretical studies on the spin Hamiltonian parameters for monovalent chromium in ZnX (X=S, Se, Te) and CdTe.
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- European Physical Journal - Applied Physics, 2014, v. 65, n. 3, p. 00, doi. 10.1051/epjap/2014130402
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Studies on the axial shift and the spin Hamiltonian parameters for Cr+ in BeO.
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- European Physical Journal - Applied Physics, 2013, v. 61, n. 3, p. 00, doi. 10.1051/epjap/2013120313
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THEORETICAL INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS FOR THE TETRAGONAL Cu<sup>2+</sup> CENTERS IN NH<sub>4</sub>X(X = Cl, Br, I).
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2008, v. 22, n. 7, p. 843, doi. 10.1142/S0217979208039009
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THEORETICAL STUDIES ON THE EPR g FACTORS FOR Dy<sup>3+</sup> IN YBa<sub>2</sub>Cu<sub>3</sub>O<sub>6</sub>.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2007, v. 21, n. 18/19, p. 3171, doi. 10.1142/S0217979207044111
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THEORETICAL EXPLANATIONS OF THE SPIN HAMILTONIAN PARAMETERS FOR Cu<sup>2+</sup> ION IN LaSrAl<sub>1-x</sub>Cu<sub>x</sub>O<sub>4</sub> SOLID SOLUTION.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2007, v. 21, n. 18/19, p. 3174, doi. 10.1142/S0217979207044123
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INVESTIGATIONS ON THE SPIN HAMILTONIAN PARAMETERS FOR Nd<sup>3+</sup> IN ThGeO<sub>4</sub>.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2007, v. 21, n. 2, p. 191, doi. 10.1142/S0217979207036503
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Theoretical investigations of the g factors and the hyperfine structure constants of the Cr and Mn centrs in silicon.
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- Semiconductors, 2011, v. 45, n. 5, p. 577, doi. 10.1134/S1063782611050290
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Calculations of defect structures and spin Hamiltonian parameters of copper in (70−x)Bi<sub>2</sub>O<sub>3</sub>–xLi<sub>2</sub>O–30 (ZnO–B<sub>2</sub>O<sub>3</sub>) glasses at different compositions.
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- Modern Physics Letters B, 2018, v. 32, n. 25, p. N.PAG, doi. 10.1142/S0217984918503050
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Theoretical studies of the local structures and spin Hamiltonian parameters for Cu in alkaline earth alumino borate glasses.
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- Modern Physics Letters B, 2018, v. 32, n. 2, p. -1, doi. 10.1142/S0217984917503316
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Defect Structures, Electronic Properties, UV–Vis, and EPR Parameters for Rh<sup>2+</sup> Centers in LiD: A DFT Study.
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- Physica Status Solidi (B), 2018, v. 255, n. 7, p. 1, doi. 10.1002/pssb.201800026
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First-principles study of structural, electronic, elastic, and optical properties of cubic KNbO<sub>3</sub> and KTaO<sub>3</sub> crystals.
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- Physica Status Solidi (B), 2017, v. 254, n. 5, p. n/a, doi. 10.1002/pssb.201600620
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Theoretical studies of the spin Hamiltonian parameters and the local structure for the orthorhombic V<sup>4+</sup> in CaYAlO<sub>4</sub>.
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- Physica Status Solidi (B), 2008, v. 245, n. 6, p. 1191, doi. 10.1002/pssb.200743495
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Theoretical studies of the spin Hamiltonian parameters for the tetragonal Co<sup>4+</sup> and Ir<sup>4+</sup> centers in SrTiO<sub>3</sub>.
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- Physica Status Solidi (B), 2008, v. 245, n. 1, p. 188, doi. 10.1002/pssb.200743032
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Investigations on the local structures of the two trigonal Er<sup>3+</sup> centers in KMgF<sub>3</sub>.
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- Physica Status Solidi (B), 2004, v. 241, n. 15, p. 3505, doi. 10.1002/pssb.200402098
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Theoretical studies of the spin-Hamiltonian parameters for Er<sup>3+</sup> in CaWO<sub>4</sub> and SrWO<sub>4</sub>.
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- Physica Status Solidi (B), 2004, v. 241, n. 5, p. 1073, doi. 10.1002/pssb.200301966
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Studies of the EPR Parameters g<sub>i</sub> and A<sub>i</sub> for Co<sup>2+</sup> in the Octahedral Sites of Y<sub>3</sub>Al<sub>5</sub>O<sub>12</sub> and Y<sub>3</sub>Ga<sub>5</sub>O<sub>12</sub> Crystals.
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- Physica Status Solidi (B), 2001, v. 223, n. 3, p. 665, doi. 10.1002/1521-3951(200102)223:3<665::AID-PSSB665>3.0.CO;2-8
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Theoretical Investigations of the g-Factors and Hyperfine Structure Constants for a Tetragonal Co<sup>2+</sup> Centre in NH<sub>4</sub>Cl Crystal.
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- Physica Status Solidi (B), 2000, v. 220, n. 2, p. 979, doi. 10.1002/(SICI)1521-3951(200008)220:2<979::AID-PSSB979>3.0.CO;2-C
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Theoretical Studies of EPR Parameters and Microstructure of the Rhombic Co<sup>2+</sup>-V<sub>Ag</sub> Centre in AgCl.
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- Physica Status Solidi (B), 2000, v. 220, n. 2, p. 941, doi. 10.1002/(SICI)1521-3951(200008)220:2<941::AID-PSSB941>3.0.CO;2-J
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Explanations of the g-Factors and Hyperfine Structure Constants for CuAlS<sub>2</sub>:Ti<sup>3+</sup> Crystals.
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- Physica Status Solidi (B), 1999, v. 214, n. 2, p. 381, doi. 10.1002/(SICI)1521-3951(199908)214:2<381::AID-PSSB381>3.0.CO;2-L
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Theoretical Studies of EPR Parameters for Cr<sup>3+</sup> Ion at an Orthorhombic Defect Site in AgBr Crystal.
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- Physica Status Solidi (B), 1998, v. 207, n. 2, p. 429, doi. 10.1002/(SICI)1521-3951(199806)207:2<429::AID-PSSB429>3.0.CO;2-C
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