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Crystal structure and elastic and phonon properties of realgar versus pressure.
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- Journal of Applied Crystallography, 2024, v. 57, n. 2, p. 220, doi. 10.1107/S1600576724000025
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- Article
Facile band gap tuning in graphene–brucite heterojunctions.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-50037-z
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- Article
Structural, elastic, electronic, optical and vibrational properties of single‐layered, bilayered and bulk molybdenite MoS<sub>2</sub>‐2H.
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- Journal of Applied Crystallography, 2023, v. 56, n. 3, p. 611, doi. 10.1107/S1600576723002571
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- Article
The effect of long-range interactions on the infrared and Raman spectra of aragonite (CaCO<sub>3</sub>, Pmcn) up to 25 GPa.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-29783-7
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- Article
Photodegradation of Bamboo: A Study on Changes in Mechanical Performances.
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- Materials (1996-1944), 2023, v. 16, n. 1, p. 285, doi. 10.3390/ma16010285
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- Article
Structural and Elastic Behaviour of Sodalite Na 8 (Al 6 Si 6 O 24)Cl 2 at High-Pressure by First-Principle Simulations.
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- Minerals (2075-163X), 2022, v. 12, n. 10, p. 1323, doi. 10.3390/min12101323
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QUANTAS: a Python software for the analysis of thermodynamics and elastic behavior of solids from ab initio quantum mechanical simulations and experimental data.
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- Journal of Applied Crystallography, 2022, v. 55, n. 2, p. 386, doi. 10.1107/S1600576722000085
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Study of the variation of the optical properties of calcite with applied stress, useful for specific rock and material mechanics.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-021-04471-6
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- Article
Thermal, X-ray Diffraction and Oedometric Analyses of Silt-Waste/NaOH-Activated Metakaolin Geopolymer Composite.
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- Journal of Composites Science, 2021, v. 5, n. 10, p. 1, doi. 10.3390/jcs5100269
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- Article
Thermally Treated Waste Silt as Filler in Geopolymer Cement.
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- Materials (1996-1944), 2021, v. 14, n. 17, p. 5102, doi. 10.3390/ma14175102
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- Article
Fibre-Reinforced Geopolymer Composites Micro-Nanochemistry by SEM-EDS Simulations.
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- Journal of Composites Science, 2021, v. 5, n. 8, p. 1, doi. 10.3390/jcs5080214
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- Article
In Vitro Comparison of Root Surface Treatment Effect between Root Scaling with Ultrasonic Inserts and Gracey Curette and Polishing with Different Cleaning Pastes.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 13, p. 5967, doi. 10.3390/app11135967
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Hydroxylapatite and Related Minerals in Bone and Dental Tissues: Structural, Spectroscopic and Mechanical Properties from a Computational Perspective.
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- Biomolecules (2218-273X), 2021, v. 11, n. 5, p. 728, doi. 10.3390/biom11050728
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DFT Simulation of the Water Molecule Interaction with the (00l) Surface of Montmorillonite.
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- Minerals (2075-163X), 2021, v. 11, n. 5, p. 501, doi. 10.3390/min11050501
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In Vivo Effects of Two In-Office Vital Tooth Bleaching Systems on Enamel Permeability.
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- Journal of Composites Science, 2021, v. 5, n. 4, p. 1, doi. 10.3390/jcs5040098
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- Article
Development of A Nano-Apatite Based Composite Sealer for Endodontic Root Canal Filling.
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- Journal of Composites Science, 2021, v. 5, n. 1, p. 1, doi. 10.3390/jcs5010030
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- Article
Stannous Fluoride Preventive Effect on Enamel Erosion: An In Vitro Study.
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- Journal of Clinical Medicine, 2020, v. 9, n. 9, p. 2755, doi. 10.3390/jcm9092755
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- Article
Monte Carlo SEM-EDS Nano-Microanalysis Strategy of Historical Mineral Pigments: The Simulation of the Egyptian Blue from Pompeii (Italy) as an Example.
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- Minerals (2075-163X), 2020, v. 10, n. 9, p. 807, doi. 10.3390/min10090807
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- Article
Thermodynamic and thermoelastic properties of wurtzite-ZnS by density functional theory.
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- American Mineralogist, 2020, v. 105, n. 8, p. 1212, doi. 10.2138/am-2020-7330
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- Article
First principle investigation of the thermomechanical properties of type A carbonated apatite.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 2, p. N.PAG, doi. 10.1002/qua.26069
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- Article
SEM-EDS MICROANALYSIS OF ULTRATHIN GLASS AND METAL FRAGMENTS: MEASUREMENT STRATEGY BY MONTE CARLO SIMULATION IN CULTURAL HERITAGE AND ARCHAEOLOGY.
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- International Journal of Conservation Science, 2020, v. 11, p. 223
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Thermomechanical, electronic and thermodynamic properties of ZnS cubic polymorphs: an ab initio investigation on the zinc‐blende–rock‐salt phase transition.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2019, v. 75, n. 6, p. 1042, doi. 10.1107/S2052520619012630
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- Article
Growth factor sustained delivery from poly‐lactic‐co‐glycolic acid microcarriers and its mass transfer modeling by finite element in a dynamic and static three‐dimensional environment bioengineered with stem cells.
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- Biotechnology & Bioengineering, 2019, v. 116, n. 7, p. 1777, doi. 10.1002/bit.26975
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Equation of state of hexagonal hydroxylapatite (P6<sub>3</sub>) as obtained from density functional theory simulations.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 12, p. 1, doi. 10.1002/qua.25553
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Nanomorphological investigation of graphite surface after cryo-ultrasonication in liquid nitrogen by atomic force microscopy.
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- Micro & Nano Letters (Wiley-Blackwell), 2018, v. 13, n. 4, p. 546, doi. 10.1049/mnl.2017.0682
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- Article
Second‐order elastic constants of hexagonal hydroxylapatite (P6<sub>3</sub>) from <italic>ab initio</italic> quantum mechanics: Comparison between DFT functionals and basis sets.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 5, p. 1, doi. 10.1002/qua.25500
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Probing the interaction of (001) carbonated hydroxylapatite surfaces with water: a density functional investigation.
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- Micro & Nano Letters (Wiley-Blackwell), 2018, v. 13, n. 1, p. 4, doi. 10.1049/mnl.2017.0058
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- Article
Effects of fluorine content on the elastic behavior of topaz [Al<sub>2</sub>SiO<sub>4</sub>(F,OH)<sub>2</sub>].
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- American Mineralogist, 2017, v. 102, n. 2, p. 347, doi. 10.2138/am-2017-5668
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- Article
Hydrocarbons in phlogopite from Kasenyi kamafugitic rocks (SW Uganda): cross-correlated AFM, confocal microscopy and Raman imaging.
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- Scientific Reports, 2017, p. 40663, doi. 10.1038/srep40663
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- Article
First-principles study of structural and surface properties of (001) and (010) surfaces of hydroxylapatite and carbonated hydroxylapatite.
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- Journal of Applied Crystallography, 2016, v. 49, n. 6, p. 1893, doi. 10.1107/S160057671601390X
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- Article
Withania somnifera Induces Cytotoxic and Cytostatic Effects on Human T Leukemia Cells.
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- Toxins, 2016, v. 8, n. 5, p. 147, doi. 10.3390/toxins8050147
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Density functional investigation of the thermo-physical and thermo-chemical properties of 2M<sub>1</sub> muscovite.
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- American Mineralogist, 2015, v. 100, n. 4, p. 935, doi. 10.2138/am-2015-5086
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DFT investigation of structural and vibrational properties of type B and mixed A-B carbonated hydroxylapatite.
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- American Mineralogist, 2014, v. 99, n. 1, p. 117, doi. 10.2138/am.2014.4542
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The vibrational features of hydroxylapatite and type A carbonated apatite: A first principle contribution.
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- American Mineralogist, 2013, v. 98, n. 4, p. 752, doi. 10.2138/am.2013.4315
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Periodic ab initio bulk investigation of hydroxylapatite and type A carbonated apatite with both pseudopotential and all-electron basis sets for calcium atoms.
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- American Mineralogist, 2013, v. 98, n. 2, p. 410, doi. 10.2138/am.2013.4171
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Mechanical and thermal properties of a nanopowder talc compound produced by controlled ball milling.
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- Journal of Nanoparticle Research, 2011, v. 13, n. 11, p. 5919, doi. 10.1007/s11051-011-0541-6
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Zeolitic-type Brønsted-Lowry sites distribution imaged on clinochlore.
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- American Mineralogist, 2011, v. 96, n. 10, p. 1461, doi. 10.2138/am.2011.3774
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Permeability and Morphology of Dentin after Erosion Induced by Acidic Drinks.
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- Journal of Periodontology, 2003, v. 74, n. 4, p. 428, doi. 10.1902/jop.2003.74.4.428
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- Article