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Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization.
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- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00681-4
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- Article
A Supramolecular Model for the Co‐Catalytic Role of Nitro Compounds in Brønsted Acid Catalyzed Reactions.
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- Chemistry - A European Journal, 2020, v. 26, n. 48, p. 10976, doi. 10.1002/chem.202000368
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- Article
Ground-State Chemical Reactivity under Vibrational Coupling to the Vacuum Electromagnetic Field.
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- Angewandte Chemie, 2016, v. 128, n. 38, p. 11634, doi. 10.1002/ange.201605504
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- Article
Ground-State Chemical Reactivity under Vibrational Coupling to the Vacuum Electromagnetic Field.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 38, p. 11462, doi. 10.1002/anie.201605504
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- Article