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A reactive neural network framework for water-loaded acidic zeolites.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-48609-2
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- Article
Accurate large-scale simulations of siliceous zeolites by neural network potentials.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00865-w
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- Article
The Structure of Gd 3+ -Doped Li 2 O and K 2 O Containing Aluminosilicate Glasses from Molecular Dynamics Simulations.
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- Materials (1996-1944), 2021, v. 14, n. 12, p. 3265, doi. 10.3390/ma14123265
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- Article
Predicting Solubility of Small Molecules in Macromolecular Compounds for Nanomedicine Application from Atomistic Simulations.
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- Advanced Theory & Simulations, 2020, v. 3, n. 5, p. 1, doi. 10.1002/adts.202000001
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- Article
Structure Prediction of Rare Earth Doped BaO and MgO Containing Aluminosilicate Glasses–the Model Case of Gd2O3.
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- Materials (1996-1944), 2018, v. 11, n. 10, p. 1790, doi. 10.3390/ma11101790
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- Article
Kinetics of Decelerated Melting.
- Published in:
- Advanced Science, 2018, v. 5, n. 5, p. 1, doi. 10.1002/advs.201700850
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- Article
Ab Initio energetics of SiO bond cleavage.
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- Journal of Computational Chemistry, 2017, v. 38, n. 27, p. 2349, doi. 10.1002/jcc.24892
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- Article
Unterschiedliche Reaktivität von As<sub>4</sub> gegenüber Disilenen und Silylenen.
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- Angewandte Chemie, 2017, v. 129, n. 23, p. 6755, doi. 10.1002/ange.201701740
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- Article
Different Reactivity of As<sub>4</sub> towards Disilenes and Silylenes.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 23, p. 6655, doi. 10.1002/anie.201701740
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- Article
Thermodynamic compatibility of actives encapsulated into PEG-PLA nanoparticles: In Silico predictions and experimental verification.
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- Journal of Computational Chemistry, 2016, v. 37, n. 24, p. 2220, doi. 10.1002/jcc.24449
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- Article