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Year | Number of Results |
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2023 | 2 |
2024 | 1 |
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Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers.
J Comput Chem. 2024 Apr 29. doi: 10.1002/jcc.27377. Online ahead of print.
J Comput Chem. 2024.
PMID: 38682874
Magnetic Polaron States in Photoluminescent Carbon Dots Enable Hydrogen Peroxide Photoproduction.
Zdražil L, Baďura Z, Langer M, Kalytchuk S, Panáček D, Scheibe M, Kment Š, Kmentová H, Thottappali MA, Mohammadi E, Medveď M, Bakandritsos A, Zoppellaro G, Zbořil R, Otyepka M.
Zdražil L, et al.
Small. 2023 Aug;19(32):e2206587. doi: 10.1002/smll.202206587. Epub 2023 Apr 10.
Small. 2023.
PMID: 37038085
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Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks.
Barone V, Di Grande S, Puzzarini C.
Barone V, et al.
Molecules. 2023 Jan 16;28(2):913. doi: 10.3390/molecules28020913.
Molecules. 2023.
PMID: 36677970
Free PMC article.
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