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First-Principles Calculations of the Structural, Mechanical, Optical, and Electronic Properties of X 2 Bi 4 Ti 5 O 18 (X = Pb, Ba, Ca, and Sr) Bismuth-Layered Materials for Photovoltaic Applications.
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- Crystals (2073-4352), 2024, v. 14, n. 10, p. 870, doi. 10.3390/cryst14100870
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Density Functional Theory Study of Lanthanide Monoxides under High Pressure: Pressure-Induced B1–B2 Transition.
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- Crystals (2073-4352), 2024, v. 14, n. 10, p. 831, doi. 10.3390/cryst14100831
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Poroelastic Response of a Fractured Rock to Hydrostatic Pressure Oscillations.
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- Geophysical Research Letters, 2024, v. 51, n. 20, p. 1, doi. 10.1029/2024GL109992
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A DFT Study of Structural, Electronic, Optical, and Thermoelectric Properties of TMX (TM = Mo and W; X = N, P, and As) Compounds.
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- Journal of Electronic Materials, 2024, v. 53, n. 7, p. 3834, doi. 10.1007/s11664-024-11128-3
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First-Principles Calculations: Structural, Anisotropic, and Electronic Properties of BC14 Carbon Under Pressure.
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- Journal of Electronic Materials, 2024, v. 53, n. 4, p. 1923, doi. 10.1007/s11664-024-10926-z
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Computational Comparative Analysis of (Ag, In)-Doped LaAlO<sub>3</sub> for Optoelectronic Application: A First-Principles Study.
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- Journal of Electronic Materials, 2023, v. 52, n. 8, p. 5738, doi. 10.1007/s11664-023-10518-3
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Effect of Stress on Electronic, Optical, Elastic, and Mechanical Properties of Potassium Tantalum Oxide (KTaO<sub>3</sub>): A DFT Study.
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- Journal of Electronic Materials, 2023, v. 52, n. 8, p. 5631, doi. 10.1007/s11664-023-10484-w
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The Physical Properties of a Novel Carbon Allotrope in Tetragonal Symmetry.
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- Journal of Electronic Materials, 2023, v. 52, n. 3, p. 2071, doi. 10.1007/s11664-022-10173-0
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First-Principles Study on the Structural, Elastic and Thermodynamic Properties of Binary Pd-Sn Compounds.
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- Journal of Electronic Materials, 2023, v. 52, n. 3, p. 1875, doi. 10.1007/s11664-022-10089-9
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Stability and Anisotropic Elastic Properties of a Hexagonal δ-WN Compound.
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- Journal of Electronic Materials, 2022, v. 51, n. 1, p. 412, doi. 10.1007/s11664-021-09307-7
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First-Principles Study on Structural, Electronic, Elastic, Phonon, and Thermodynamic Properties of Tungsten Oxide-Based Perovskite NaWO<sub>3</sub>.
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- Journal of Electronic Materials, 2021, v. 50, n. 9, p. 5402, doi. 10.1007/s11664-021-09068-3
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Effect of In-Doping on Mechanical Properties of Cu6Sn5-Based Intermetallic Compounds: A First-Principles Study.
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- Journal of Electronic Materials, 2021, v. 50, n. 7, p. 4164, doi. 10.1007/s11664-021-08929-1
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First-Principles Study on the Structural, Electronic, Optical, Mechanical, and Adsorption Properties of Cubical Transition Metal Nitrides MN (M = Ti, Zr and Hf).
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- Journal of Electronic Materials, 2021, v. 50, n. 6, p. 3312, doi. 10.1007/s11664-021-08814-x
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Strong Elastic Anisotropy of Low-Dimensional Ternary Compounds: InXTe3 (X = Si, Ge).
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- Journal of Electronic Materials, 2021, v. 50, n. 5, p. 2779, doi. 10.1007/s11664-021-08784-0
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First-Principles Calculations on Physical Properties of α-CoSn3 Intermetallic Compound and β-Sn/α-CoSn3 Interface.
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- Journal of Electronic Materials, 2021, v. 50, n. 5, p. 2813, doi. 10.1007/s11664-021-08782-2
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Influence of Ternary and Quaternary Inclusion on Bandgap Tuning of CaTe: Prediction of Potential Thermoelectric Materials.
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- Journal of Electronic Materials, 2021, v. 50, n. 4, p. 1759, doi. 10.1007/s11664-020-08485-0
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High-Pressure Structural and Electronic Properties of Potassium-Based Green Primary Explosives.
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- Journal of Electronic Materials, 2021, v. 50, n. 4, p. 1581, doi. 10.1007/s11664-020-08262-z
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Thermodynamic, Mechanical, Optical and Electronic Properties of Cu3VS4: An Ab Initio Study.
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- Journal of Electronic Materials, 2021, v. 50, n. 1, p. 336, doi. 10.1007/s11664-020-08557-1
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Nature of Structural, Optical Transition and AC Electrical Properties of Azobenzene.
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- Journal of Electronic Materials, 2020, v. 49, n. 12, p. 7589, doi. 10.1007/s11664-020-08543-7
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Electronic, Elastic, Vibrational and Thermodynamic Properties of HfIrX (X = As, Sb and Bi) Compounds: Insights from DFT-Based Computer Simulation.
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- Journal of Electronic Materials, 2020, v. 49, n. 5, p. 3052, doi. 10.1007/s11664-020-08029-6
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First-Principles Study of Structural, Elastic, and Thermodynamic Properties of PdSn4 with Ni Addition.
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- Journal of Electronic Materials, 2020, v. 49, n. 2, p. 1435, doi. 10.1007/s11664-019-07832-0
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Density Functional Investigations of Structural, Mechanical and Optoelectronic Properties of BeSxSe1−x, BeSxTe1−x and BeSexTe1−x Ternary Alloys.
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- Journal of Electronic Materials, 2020, v. 49, n. 2, p. 1372, doi. 10.1007/s11664-019-07820-4
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Influence of Vacancy on the Mechanical, Electronic and Thermodynamic Properties of Mo5SiB2 from First-Principles Calculations.
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- Journal of Electronic Materials, 2020, v. 49, n. 2, p. 1282, doi. 10.1007/s11664-019-07775-6
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Magnetic, Electronic, Mechanic, Anisotropic Elastic and Vibrational Properties of Antiferromagnetic Ru<sub>2</sub>TGa (T = Cr, Mn, and Co) Heusler Alloys.
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- Journal of Electronic Materials, 2019, v. 48, n. 12, p. 7608, doi. 10.1007/s11664-019-07625-5
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Structural and Thermomechanical Properties of Zincblende-Type ZnX (X = S, Se, Te).
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- Journal of Electronic Materials, 2019, v. 48, n. 9, p. 5806, doi. 10.1007/s11664-019-07360-x
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Probing the Structural, Electronic, Mechanical Strength and Thermodynamic Properties of Tungsten-Based Oxide Perovskites RbWO<sub>3</sub> and CsWO<sub>3</sub>: First-Principles Investigation.
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- Journal of Electronic Materials, 2019, v. 48, n. 8, p. 4886, doi. 10.1007/s11664-019-07277-5
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Theoretical study of the interfacial force‐field and thermodynamic properties for HMX‐Estane mixture explosives.
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- Propellants, Explosives, Pyrotechnics, 2024, v. 49, n. 4, p. 1, doi. 10.1002/prep.202300265
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- Article
High‐Pressure Characterization of Two Stereoisomers of Tetranitroester Cyclobutane.
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- Propellants, Explosives, Pyrotechnics, 2022, v. 47, n. 12, p. 1, doi. 10.1002/prep.202200221
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- Article
Nitride Spinel: An Ultraincompressible High‐Pressure Form of BeP<sub>2</sub>N<sub>4</sub>.
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- Angewandte Chemie, 2020, v. 132, n. 7, p. 2752, doi. 10.1002/ange.201910998
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Covalent Organic Framework (COF‐1) under High Pressure.
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- Angewandte Chemie, 2020, v. 132, n. 3, p. 1103, doi. 10.1002/ange.201907689
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- Article
Boron Phosphorus Nitride at Extremes: PN<sub>6</sub> Octahedra in the High‐Pressure Polymorph β‐BP<sub>3</sub>N<sub>6</sub>.
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- Angewandte Chemie, 2019, v. 131, n. 27, p. 9158, doi. 10.1002/ange.201902845
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A Density Functional Theory Insight into Structural, Mechanical, and Optical Properties of Rb<sub>2</sub>LiTlF<sub>6</sub> Double Perovskite.
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- Advanced Engineering Materials, 2024, v. 26, n. 5, p. 1, doi. 10.1002/adem.202300995
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Ladderlike Polyphenylsesquioxane‐Doped Cellulose Insulation Paper with Upgraded Mechanical Strength.
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- Advanced Engineering Materials, 2023, v. 25, n. 20, p. 1, doi. 10.1002/adem.202300738
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Modelling the storage modulus, transition temperatures and time–temperature superposition characteristics of epoxies and their composites.
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- Journal of Thermal Analysis & Calorimetry, 2018, v. 131, n. 3, p. 2589, doi. 10.1007/s10973-017-6774-6
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Elastic and anelastic relaxations accompanying relaxor ferroelectric behaviour of BaGaNbO tetragonal tungsten bronze from resonant ultrasound spectroscopy.
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- Journal of Thermal Analysis & Calorimetry, 2016, v. 124, n. 2, p. 571, doi. 10.1007/s10973-015-5202-z
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Mechanical and tribological properties of fluororubber enhanced by three carbon nanomaterials at a high temperature: A molecular simulation approach.
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- Journal of Polymer Research, 2024, v. 31, n. 9, p. 1, doi. 10.1007/s10965-024-04087-0
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A predictive procedure to model gas transport and intrinsic properties of rubbery polymeric membranes using equilibrium thermodynamics and free volume theory.
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- Journal of Polymer Research, 2023, v. 30, n. 3, p. 1, doi. 10.1007/s10965-023-03482-3
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Computational analysis on mechanical property reinforcement of nylon 6 polymer and nanofiller dispersion through addition of CNT/Graphene/CNT-Graphene nanofillers.
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- Journal of Polymer Research, 2022, v. 29, n. 7, p. 1, doi. 10.1007/s10965-022-03147-7
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Production of castor oil-based polyurethane resin composites reinforced with coconut husk fibres.
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- Journal of Polymer Research, 2020, v. 27, n. 9, p. N.PAG, doi. 10.1007/s10965-020-02238-7
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The Role of POSS Functionality on Induced Deviation of Nano and Micromechanical Properties of UV Curable Urethane Acrylate Nanocomposite Coatings.
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- Journal of Polymer Research, 2020, v. 27, n. 5, p. 1, doi. 10.1007/s10965-020-02114-4
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Improvement of mechanical toughness of polypropylene by laminating with elastomer.
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- Journal of Polymer Research, 2019, v. 26, n. 10, p. N.PAG, doi. 10.1007/s10965-019-1910-6
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Nonlinear analysis for propellant solids.
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- Continuum Mechanics & Thermodynamics, 2022, v. 34, n. 5, p. 1159, doi. 10.1007/s00161-022-01111-w
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Negative-stiffness composite systems and their coupled-field properties.
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- Continuum Mechanics & Thermodynamics, 2021, v. 33, n. 4, p. 1857, doi. 10.1007/s00161-021-01021-3
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Visualising elastic anisotropy: theoretical background and computational implementation.
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- Continuum Mechanics & Thermodynamics, 2018, v. 30, n. 4, p. 689, doi. 10.1007/s00161-018-0635-9
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An experimental investigation on the poroelastic response of a water-saturated limestone to hydrostatic compression.
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- Bulletin of Engineering Geology & the Environment, 2021, v. 80, n. 5, p. 3817, doi. 10.1007/s10064-021-02157-x
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- Article
3D spatial model of Biot's effective stress coefficient using well logs, laboratory experiments, and geostatistical method in the Gachsaran oil field, southwest of Iran.
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- Bulletin of Engineering Geology & the Environment, 2019, v. 78, n. 6, p. 4633, doi. 10.1007/s10064-018-1423-2
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Investigation on viscoelastic phase separation of phenolphthalein poly (ether ether ketone)/epoxy blends system.
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- Polymers & Polymer Composites, 2020, v. 28, n. 3, p. 199, doi. 10.1177/0967391119869111
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Influence of Compressible Intercontact Liquid on the Interaction of an Elastic Body with a Rigid Base Textured by Rectangular Grooves.
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- Materials Science, 2018, v. 54, n. 3, p. 354, doi. 10.1007/s11003-018-0192-1
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Black holes, the van der Waals gas, compressibility and the speed of sound.
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- Fortschritte der Physik / Progress of Physics, 2014, v. 62, n. 9/10, p. 892, doi. 10.1002/prop.201400011
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Micromechanical Estimates Compared to FE-Based Methods for Modelling the Behaviour of Micro-Cracked Viscoelastic Materials.
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- Modelling, 2024, v. 5, n. 2, p. 625, doi. 10.3390/modelling5020033
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- Article