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QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules.
- Published in:
- Scientific Data, 2021, v. 8, n. 1, p. 1, doi. 10.1038/s41597-021-00812-2
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- Article
First‐Principle‐Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries.
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- Advanced Science, 2018, v. 5, n. 2, p. 1, doi. 10.1002/advs.201700365
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- Article
Polymerization driven monomer passage through monolayer chemical vapour deposition graphene.
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- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-06599-y
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- Article
Dithienylethene‐Based Single Molecular Photothermal Linear Actuator.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 16, p. 1, doi. 10.1002/anie.202218767
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- Article
Thermal bridging of graphene nanosheets via covalent molecular junctions: A non-equilibrium Green's functions–density functional tight-binding study.
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- Nano Research, 2019, v. 12, n. 4, p. 791, doi. 10.1007/s12274-019-2290-2
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- Article
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules.
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- Scientific Data, 2024, v. 11, n. 1, p. 1, doi. 10.1038/s41597-024-03521-8
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- Article
Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green's Function Techniques.
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- Entropy, 2019, v. 21, n. 8, p. 735, doi. 10.3390/e21080735
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- Article
Inverse mapping of quantum properties to structures for chemical space of small organic molecules.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-50401-1
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- Publication type:
- Article
Dithienylethene‐Based Single Molecular Photothermal Linear Actuator.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 16, p. 1, doi. 10.1002/ange.202218767
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- Publication type:
- Article