Works matching AU Zurek, Eva
Results: 38
Muffin-Tin Orbital Wannier-Like Functions for Insulators and Metals.
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- ChemPhysChem, 2005, v. 6, n. 9, p. 1934, doi. 10.1002/cphc.200500133
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- Article
On the Electride Nature of Na‐hP4.
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- Angewandte Chemie, 2023, v. 135, n. 48, p. 1, doi. 10.1002/ange.202310802
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- Article
Berichtigung: Ultra‐Tight Host‐Guest Binding with Exceptionally Strong Positive Cooperativity.
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- Angewandte Chemie, 2023, v. 135, n. 17, p. 1, doi. 10.1002/ange.202302295
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- Article
Ultra‐Tight Host‐Guest Binding with Exceptionally Strong Positive Cooperativity.
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- Angewandte Chemie, 2022, v. 134, n. 50, p. 1, doi. 10.1002/ange.202213467
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- Article
Rational Design of Superconducting Metal Hydrides via Chemical Pressure Tuning.
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- Angewandte Chemie, 2022, v. 134, n. 38, p. 1, doi. 10.1002/ange.202207589
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- Article
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure.
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- Angewandte Chemie, 2022, v. 134, n. 32, p. 1, doi. 10.1002/ange.202205129
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- Article
Hydrides of the Alkali Metals and Alkaline Earth Metals Under Pressure.
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- Comments on Inorganic Chemistry, 2017, v. 37, n. 2, p. 78, doi. 10.1080/02603594.2016.1196679
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First principles investigation on how site preference and entropy affect the stability of (Eu<sub> x</sub>M<sub>1-</sub><sub> x</sub>)<sub>2</sub>Ge<sub>2</sub>Pb (M = Ca, Sr, Ba) polar intermetallics.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 4, p. 312, doi. 10.1139/cjc-2015-0374
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- Article
Why Mg<sub>2</sub>IrH<sub>6</sub> Is Predicted to Be a High‐Temperature Superconductor, But Ca<sub>2</sub>IrH<sub>6</sub> Is Not.
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- Angewandte Chemie, 2024, v. 136, n. 52, p. 1, doi. 10.1002/ange.202412687
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- Article
Predicting superhard materials via a machine learning informed evolutionary structure search.
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- NPJ Computational Materials, 2019, v. 5, n. 1, p. N.PAG, doi. 10.1038/s41524-019-0226-8
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- Article
Building egg-tray-shaped graphenes that have superior mechanical strength and band gap.
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- NPJ Computational Materials, 2019, v. 5, n. 1, p. N.PAG, doi. 10.1038/s41524-019-0211-2
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- Article
Dimerization of cobalt-substituted Keggin phosphotungstate, [PW 11 O 39 Co(X)] , in nonpolar solvents.
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- Journal of Coordination Chemistry, 2014, v. 67, n. 17, p. 2830, doi. 10.1080/00958972.2014.956664
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Avogadro: an advanced semantic chemical editor, visualization, and analysis platform.
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- Journal of Cheminformatics, 2012, v. 4, n. 1, p. 17, doi. 10.1186/1758-2946-4-17
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- Article
NMR computations for carbon nanotubes from first principles: Present status and future directions.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3343, doi. 10.1002/qua.22211
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- Article
A Molecular Perspective on Lithium-Ammonia Solutions.
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- Angewandte Chemie International Edition, 2009, v. 48, n. 44, p. 8198, doi. 10.1002/anie.200900373
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- Article
Why Mg<sub>2</sub>IrH<sub>6</sub> Is Predicted to Be a High‐Temperature Superconductor, But Ca<sub>2</sub>IrH<sub>6</sub> Is Not.
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- Angewandte Chemie International Edition, 2024, v. 63, n. 52, p. 1, doi. 10.1002/anie.202412687
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- Article
Locking and Unlocking the Molecular Spin Crossover Transition.
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- Advanced Materials, 2017, v. 29, n. 39, p. n/a, doi. 10.1002/adma.201702257
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- Article
Machine learned interatomic potentials for ternary carbides trained on the AFLOW database.
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- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01321-7
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- Article
Cover Picture: Lithium Subhydrides under Pressure and Their Superatom-like Building Blocks (ChemPlusChem 11/2012).
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- ChemPlusChem, 2012, v. 77, n. 11, p. 959, doi. 10.1002/cplu.201290047
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- Article
Lithium Subhydrides under Pressure and Their Superatom-like Building Blocks.
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- ChemPlusChem, 2012, v. 77, n. 11, p. 969, doi. 10.1002/cplu.201200130
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- Article
On the Electride Nature of Na‐hP4.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 48, p. 1, doi. 10.1002/anie.202310802
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- Article
Corrigendum: Ultra‐Tight Host‐Guest Binding with Exceptionally Strong Positive Cooperativity.
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- 2023
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- Correction Notice
Ultra‐Tight Host‐Guest Binding with Exceptionally Strong Positive Cooperativity.
- Published in:
- Angewandte Chemie International Edition, 2022, v. 61, n. 50, p. 1, doi. 10.1002/anie.202213467
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- Publication type:
- Article
Rational Design of Superconducting Metal Hydrides via Chemical Pressure Tuning.
- Published in:
- Angewandte Chemie International Edition, 2022, v. 61, n. 38, p. 1, doi. 10.1002/anie.202207589
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- Publication type:
- Article
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure.
- Published in:
- Angewandte Chemie International Edition, 2022, v. 61, n. 32, p. 1, doi. 10.1002/anie.202205129
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- Publication type:
- Article
Dilute carbon in H<sub>3</sub>S under pressure.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00769-9
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- Article
A First-Principles Exploration of NaxSy Binary Phases at 1 atm and Under Pressure.
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- Crystals (2073-4352), 2019, v. 9, n. 9, p. 441, doi. 10.3390/cryst9090441
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- Article
Materials under high pressure: a chemical perspective.
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- Applied Physics A: Materials Science & Processing, 2022, v. 128, n. 5, p. 1, doi. 10.1007/s00339-022-05576-z
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- Article
Cover Feature: Electronic Structure and Superconductivity of Compressed Metal Tetrahydrides (Chem. Eur. J. 60/2021).
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- Chemistry - A European Journal, 2021, v. 27, n. 60, p. 14788, doi. 10.1002/chem.202103534
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- Article
Electronic Structure and Superconductivity of Compressed Metal Tetrahydrides.
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- Chemistry - A European Journal, 2021, v. 27, n. 60, p. 14858, doi. 10.1002/chem.202102679
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- Article
Fluorides of Silver Under Large Compression**.
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- Chemistry - A European Journal, 2021, v. 27, n. 17, p. 5536, doi. 10.1002/chem.202100028
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- Article
Bipolar HiPIMS kick‐pulse for high hardness in high‐entropy boride thin films.
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- Journal of the American Ceramic Society, 2025, v. 108, n. 3, p. 1, doi. 10.1111/jace.20257
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- Article
A super‐hard high entropy boride containing Hf, Mo, Ti, V, and W.
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- Journal of the American Ceramic Society, 2024, v. 107, n. 7, p. 4430, doi. 10.1111/jace.19795
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- Article
Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen.
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- Angewandte Chemie, 2017, v. 129, n. 34, p. 10326, doi. 10.1002/ange.201701660
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- Article
Enantioselective Copper-Catalyzed Carboetherification of Unactivated Alkenes.
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- Angewandte Chemie, 2014, v. 126, n. 25, p. 6501, doi. 10.1002/ange.201402462
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- Article
Rubidium Polyhydrides Under Pressure: Emergence of the Linear H<sub>3</sub><sup>−</sup> Species.
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- Chemistry - A European Journal, 2012, v. 18, n. 16, p. 5013, doi. 10.1002/chem.201103205
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- Article
Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen.
- Published in:
- Angewandte Chemie International Edition, 2017, v. 56, n. 34, p. 10192, doi. 10.1002/anie.201701660
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- Publication type:
- Article
Enantioselective Copper-Catalyzed Carboetherification of Unactivated Alkenes.
- Published in:
- Angewandte Chemie International Edition, 2014, v. 53, n. 25, p. 6383, doi. 10.1002/anie.201402462
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- Article