Found: 15
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Novel Linear Trinuclear Cu II Compound with Trapped Chiral Hemiaminal Ligand: Magnetostructural Study.
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- Magnetochemistry, 2023, v. 9, n. 7, p. 175, doi. 10.3390/magnetochemistry9070175
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- Article
Rotational relaxation of SiCSi by collision with para-H2(j=0).
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- European Physical Journal D (EPJ D), 2023, v. 77, n. 6, p. 1, doi. 10.1140/epjd/s10053-023-00690-w
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- Article
Rare-earth-based metal–organic frameworks with improved visible-light-harvesting properties: a quantum chemistry study.
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- Journal of Materials Science, 2023, v. 58, n. 21, p. 8862, doi. 10.1007/s10853-023-08581-6
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- Article
Schiff Bases and Multidentate Organic Compounds as Fluorescent Sensors of Al<sup>3+</sup>: Photophysical, Fluorescent Bioimaging and the Mechanisms.
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- European Journal of Organic Chemistry, 2022, v. 2022, n. 37, p. 1, doi. 10.1002/ejoc.202200588
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- Article
Understanding the Deactivating/Activating Mechanisms in Three Optical Chemosensors Based on Crown Ether with Na<sup>+</sup>/K<sup>+</sup> Selectivity Using Quantum Chemical Tools.
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- ChemPhysChem, 2022, v. 23, n. 17, p. 1, doi. 10.1002/cphc.202200188
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Theoretical study of 8‐hydroxyquinoline derivatives as potential antennas in lanthanide complexes: Photophysical properties and elucidation of energy transfer pathways.
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- International Journal of Quantum Chemistry, 2022, v. 122, n. 10, p. 1, doi. 10.1002/qua.26880
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Physicochemical and Theoretical Characterization of a New Small Non-Metal Schiff Base with a Differential Antimicrobial Effect against Gram-Positive Bacteria.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 5, p. 2553, doi. 10.3390/ijms23052553
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- Article
Creation of an unexpected plane of enhanced covalency in cerium(III) and berkelium(III) terpyridyl complexes.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-27576-y
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Insights into the selective sensing mechanism of a luminescent Cd(II)-based MOF chemosensor toward NACs: roles of the host–guest interactions and PET processes.
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- Journal of Materials Science, 2021, v. 56, n. 24, p. 13684, doi. 10.1007/s10853-021-06196-3
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Sensing mechanism elucidation of a chemosensor based on a metal‐organic framework selective to explosive aromatic compounds.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 23, p. 1, doi. 10.1002/qua.26404
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- Article
Sensing mechanism elucidation of a europium(III) metal–organic framework selective to aniline: A theoretical insight by means of multiconfigurational calculations.
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- Journal of Computational Chemistry, 2020, v. 41, n. 22, p. 1956, doi. 10.1002/jcc.26365
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Structural Characterization, DFT Calculation, NCI, Scan-Rate Analysis and Antifungal Activity against Botrytis cinerea of (E)-2-{[(2-Aminopyridin-2-yl)imino]-methyl}-4,6-di-tert-butylphenol (Pyridine Schiff Base).
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- Molecules, 2020, v. 25, n. 12, p. 2741, doi. 10.3390/molecules25122741
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Insights into the role of D‐ A ‐ π ‐ A type pro‐aromatic organic dyes with thieno[3,4‐b]pyrazine as A acceptor group into dye‐sensitized solar‐cells. A TD‐DFT/periodic DFT study.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 5, p. N.PAG, doi. 10.1002/qua.26108
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- Article
Rare‐Earth Metal(II) Aryloxides: Structure, Synthesis, and EPR Spectroscopy of [K(2.2.2‐cryptand)][Sc(OC<sub>6</sub>H<sub>2</sub>tBu<sub>2</sub>‐2,6‐Me‐4)<sub>3</sub>].
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- Chemistry - A European Journal, 2018, v. 24, n. 68, p. 18059, doi. 10.1002/chem.201803807
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Magnetic Properties and Electronic Structure of Neptunyl(VI) Complexes: Wavefunctions, Orbitals, and Crystal-Field Models.
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- Chemistry - A European Journal, 2014, v. 20, n. 26, p. 7994, doi. 10.1002/chem.201305039
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- Article