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Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 19, p. 10886, doi. 10.1002/ange.202015622
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- Publication type:
- Article
Superconductivity of lithium-doped hydrogen under high pressure.
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- Acta Crystallographica Section C: Structural Chemistry, 2014, v. 70, n. 2, p. 104, doi. 10.1107/S2053229613028337
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- Publication type:
- Article
Evolutionary search for new high- k dielectric materials: methodology and applications to hafnia-based oxides.
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- Acta Crystallographica Section C: Structural Chemistry, 2014, v. 70, n. 2, p. 76, doi. 10.1107/S2053229613027861
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- Publication type:
- Article
Antiferromagnetic Stabilization in the Ti<sub>8</sub>O<sub>12</sub> Cluster.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 5, p. 1699, doi. 10.1002/anie.201508439
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- Publication type:
- Article
Measuring the Meissner effect at megabar pressures.
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- National Science Review, 2019, v. 6, n. 5, p. 856, doi. 10.1093/nsr/nwz094
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- Publication type:
- Article
Author Correction: Thermochemical electronegativities of the elements.
- Published in:
- 2021
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- Correction Notice
Author Correction: Thermochemical electronegativities of the elements.
- Published in:
- 2021
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- Publication type:
- Correction Notice
Thermochemical electronegativities of the elements.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-22429-0
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- Publication type:
- Article
Correction to 'Iron silicides at pressures of the Earth's inner core'.
- Published in:
- Geophysical Research Letters, 2010, v. 37, n. 6, p. n/a, doi. 10.1029/2010GL042785
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- Publication type:
- Article
Iron silicides at pressures of the Earth's inner core.
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- Geophysical Research Letters, 2010, v. 37, n. 2, p. n/a, doi. 10.1029/2009GL041224
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- Publication type:
- Article
Antiferromagnetic Stabilization in the Ti<sub>8</sub>O<sub>12</sub> Cluster.
- Published in:
- Angewandte Chemie, 2016, v. 128, n. 5, p. 1731, doi. 10.1002/ange.201508439
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- Publication type:
- Article
Novel Stable Compounds in the C-H-O Ternary System at High Pressure.
- Published in:
- Scientific Reports, 2016, p. 32486, doi. 10.1038/srep32486
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- Publication type:
- Article
Prediction of a new ground state of superhard compound B<sub>6</sub>O at ambient conditions.
- Published in:
- Scientific Reports, 2016, p. 31288, doi. 10.1038/srep31288
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- Publication type:
- Article
Stability of numerous novel potassium chlorides at high pressure.
- Published in:
- Scientific Reports, 2016, p. 26265, doi. 10.1038/srep26265
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- Publication type:
- Article
Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences.
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- Scientific Reports, 2016, p. 25947, doi. 10.1038/srep25947
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- Publication type:
- Article
Superconductivity of novel tin hydrides (Sn<sub>n</sub>H<sub>m</sub>) under pressure.
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- Scientific Reports, 2016, p. 22873, doi. 10.1038/srep22873
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- Publication type:
- Article
Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures.
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- Scientific Reports, 2015, p. 18347, doi. 10.1038/srep18347
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- Publication type:
- Article
Pressure-driven formation and stabilization of superconductive chromium hydrides.
- Published in:
- Scientific Reports, 2015, v. 5, n. 1, p. 17764, doi. 10.1038/srep17764
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- Publication type:
- Article
Rational design of inorganic dielectric materials with expected permittivity.
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- Scientific Reports, 2015, v. 5, n. 1, p. 16769, doi. 10.1038/srep16769
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- Publication type:
- Article
Nitrogen oxides under pressure: stability, ionization, polymerization, and superconductivity.
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- Scientific Reports, 2015, p. 16311, doi. 10.1038/srep16311
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- Publication type:
- Article
Novel lithium-nitrogen compounds at ambient and high pressures.
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- Scientific Reports, 2015, p. 14204, doi. 10.1038/srep14204
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- Publication type:
- Article
Stable magnesium peroxide at high pressure.
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- Scientific Reports, 2015, p. 13582, doi. 10.1038/srep13582
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- Publication type:
- Article
Enhancement of superconducting properties in the La–Ce–H system at moderate pressures.
- Published in:
- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-38254-6
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- Publication type:
- Article
Mutual Transformations of Polysulfide Chromophore Species in Sodalite‐Group Minerals: A DFT Study on S<sub>6</sub> Decomposition.
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- ChemPhysChem, 2024, v. 25, n. 20, p. 1, doi. 10.1002/cphc.202400532
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- Article
Ionic Conductivity of Lithium Phosphides.
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- Crystals (2073-4352), 2023, v. 13, n. 5, p. 756, doi. 10.3390/cryst13050756
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- Publication type:
- Article
Theoretical and Experimental Investigations into Novel Oxynitride Discovery in the GaN-TiO<sub>2</sub> System at High Pressure.
- Published in:
- Crystals (2073-4352), 2018, v. 8, n. 2, p. 15, doi. 10.3390/cryst8020015
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- Publication type:
- Article
Synthesis of clathrate cerium superhydride CeH<sub>9</sub> at 80-100 GPa with atomic hydrogen sublattice.
- Published in:
- Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-12326-y
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- Publication type:
- Article
Synthesis of clathrate cerium superhydride CeH<sub>9</sub> at 80-100 GPa with atomic hydrogen sublattice.
- Published in:
- Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-12326-y
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- Publication type:
- Article
A Novel Phase of Li<sub>15</sub>Si<sub>4</sub> Synthesized under Pressure.
- Published in:
- Advanced Energy Materials, 2015, v. 5, n. 12, p. n/a, doi. 10.1002/aenm.201500214
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- Publication type:
- Article
Ionic high-pressure form of elemental boron.
- Published in:
- 2009
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- Publication type:
- Correction Notice
Transparent dense sodium.
- Published in:
- 2009
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- Publication type:
- Letter
Ionic high-pressure form of elemental boron.
- Published in:
- 2009
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- Publication type:
- Letter
Mechanical Properties of Single and Polycrystalline Solids from Machine Learning.
- Published in:
- Advanced Theory & Simulations, 2024, v. 7, n. 5, p. 1, doi. 10.1002/adts.202301171
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- Publication type:
- Article
COPEX: co-evolutionary crystal structure prediction algorithm for complex systems.
- Published in:
- NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-021-00668-5
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- Article
WB<sub>5−</sub><sub>x</sub>: Synthesis, Properties, and Crystal Structure—New Insights into the Long‐Debated Compound.
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- Advanced Science, 2020, v. 7, n. 16, p. 1, doi. 10.1002/advs.202000775
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- Publication type:
- Article
Discovery of new boron-rich chalcogenides: orthorhombic B6X (X=S, Se).
- Published in:
- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-66316-y
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- Publication type:
- Article
Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-50548-8
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- Publication type:
- Article
Raisins in a Hydrogen Pie: Ultrastable Cesium and Rubidium Polyhydrides.
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- Advanced Energy Materials, 2024, v. 14, n. 23, p. 1, doi. 10.1002/aenm.202400077
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- Publication type:
- Article
Mutual correlations of complexity indices of the crystal structure for the series of mercury-containing minerals.
- Published in:
- Zeitschrift für Kristallographie. Crystalline Materials, 2024, v. 239, n. 5/6, p. 207, doi. 10.1515/zkri-2024-0062
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- Publication type:
- Article
Investigation of exotic stable calcium carbides using theory and experiment.
- Published in:
- Nature Communications, 2015, v. 6, n. 5, p. 6974, doi. 10.1038/ncomms7974
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- Publication type:
- Article
Rational design of all organic polymer dielectrics.
- Published in:
- Nature Communications, 2014, v. 5, n. 9, p. 4845, doi. 10.1038/ncomms5845
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- Publication type:
- Article
Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 19, p. 10791, doi. 10.1002/anie.202015622
- By:
- Publication type:
- Article
Anisotropy of Earth's D″ layer and stacking faults in the MgSiO<sub>3</sub> post-perovskite phase.
- Published in:
- Nature, 2005, v. 438, n. 7071, p. 1142, doi. 10.1038/nature04439
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- Publication type:
- Article
Theoretical and experimental evidence for a post-perovskite phase of MgSiO<sub>3</sub> in Earth's D? layer.
- Published in:
- Nature, 2004, v. 430, n. 6998, p. 445, doi. 10.1038/nature02701
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- Publication type:
- Article
The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle.
- Published in:
- Nature, 2001, v. 411, n. 6840, p. 934, doi. 10.1038/35082048
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- Publication type:
- Article
Publisher Correction: Crystal structure prediction at finite temperatures.
- Published in:
- 2023
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- Publication type:
- Correction Notice
Crystal structure prediction at finite temperatures.
- Published in:
- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01120-6
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- Publication type:
- Article
Crystal structure transformations in SiO<sub>2</sub> from classical and ab initio metadynamics.
- Published in:
- Nature Materials, 2006, v. 5, n. 8, p. 623, doi. 10.1038/nmat1696
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- Publication type:
- Article
Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe<sub>2</sub>As<sub>2</sub> under pressure.
- Published in:
- Scientific Reports, 2015, p. 9868, doi. 10.1038/srep09868
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- Publication type:
- Article
Prediction of new thermodynamically stable aluminum oxides.
- Published in:
- Scientific Reports, 2015, p. 9518, doi. 10.1038/srep09518
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- Publication type:
- Article