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Thermodynamic properties, mechanical properties and interatomic potential in solids: a Shou-Shi-Ling () game.
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- Continuum Mechanics & Thermodynamics, 2021, v. 33, n. 3, p. 639, doi. 10.1007/s00161-020-00935-8
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NMR-Relaxometric Investigation of Mn(II)-Doped Polyoxometalates in Aqueous Solutions.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 8, p. 7308, doi. 10.3390/ijms24087308
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Raman and SERS study on cimetidine-metal complexes with biomedical interest.
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- Journal of Raman Spectroscopy, 2011, v. 42, n. 4, p. 612, doi. 10.1002/jrs.2775
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- Article
Carbon nanoparticles induce DNA repair and PARP inhibitor resistance associated with nanozyme activity in cancer cells.
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- Cancer Nanotechnology (1868-6958), 2022, v. 13, n. 1, p. 1, doi. 10.1186/s12645-022-00144-9
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- Article
Efficient Excited-State Symmetry Breaking in a Cationic Quadrupolar System Bearing Diphenylamino Donors.
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- ChemPhysChem, 2016, v. 17, n. 1, p. 136, doi. 10.1002/cphc.201500784
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Effect of the π Bridge and Acceptor on Intramolecular Charge Transfer in Push-Pull Cationic Chromophores: An Ultrafast Spectroscopic and TD-DFT Computational Study.
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- ChemPhysChem, 2015, v. 16, n. 7, p. 1440, doi. 10.1002/cphc.201402896
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First-principle-based MD description of azobenzene molecular rods.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 10, p. 1, doi. 10.1007/s00214-012-1274-z
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- Article
A theoretical study about the structural, electronic and spectroscopic properties of the ground and singlet excited states of curcuminoidic core.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 124, n. 3/4, p. 235, doi. 10.1007/s00214-009-0604-2
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Identification of a potent palladium-aryldiphosphine catalytic system for high-performance carbonylation of alkenes.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46286-9
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2‐Aryl‐2,4‐dihydro‐5H‐[1,2,3]triazolo[4,5‐d]pyrimidin‐5‐ones as a New Platform for the Design and Synthesis of Biosensors and Chemosensors.
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- European Journal of Organic Chemistry, 2020, v. 2020, n. 3, p. 316, doi. 10.1002/ejoc.201901582
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- Article
Trapping of Ag + into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry.
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- Molecules, 2022, v. 27, n. 20, p. 6961, doi. 10.3390/molecules27206961
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From Specific γ‐CD/[Nb<sub>6</sub>Cl<sub>12</sub>(H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup> Recognition to Biological Activity Tuning.
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- Chemistry - A European Journal, 2020, v. 26, n. 33, p. 7479, doi. 10.1002/chem.202000739
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- Article
Experimental and Theoretical Elucidation of the Luminescence Quenching Mechanism in Highly Efficient Hg<sup>2+</sup> and Sulfadiazine Sensing by Ln‐MOF.
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- Angewandte Chemie, 2024, v. 136, n. 40, p. 1, doi. 10.1002/ange.202410509
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- Article
Experimental and Theoretical Elucidation of the Luminescence Quenching Mechanism in Highly Efficient Hg<sup>2+</sup> and Sulfadiazine Sensing by Ln‐MOF.
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- Angewandte Chemie International Edition, 2024, v. 63, n. 40, p. 1, doi. 10.1002/anie.202410509
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- Article
An inexpensive density functional theory-based protocol to predict accurate <sup>19</sup>F-NMR chemical shifts.
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- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 170, doi. 10.1002/jcc.26780
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- Article
Fluorescent Assembles of 2‐Amino‐3‐cyanothiophenes with Azoles. Design and Peculiar Properties of Absorption and Emission.
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- Asian Journal of Organic Chemistry, 2021, v. 10, n. 2, p. 400, doi. 10.1002/ajoc.202000663
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Application of Redfield-Pólya's Theorem to the enumeration of the substitution isomers of linear polycyclic aromatic hydrocarbons.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 9, p. 2264, doi. 10.1007/s10910-013-0242-8
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- Article
Synthesis of 2-Aryl-1,2,3-triazoles by Oxidative Cyclization of 2-(Arylazo)ethene-1,1-diamines: A One-Pot Approach.
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- European Journal of Organic Chemistry, 2016, p. 2700, doi. 10.1002/ejoc.201600256
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- Article
Synthesis of 2-Aryl-1,2,3-triazoles by Oxidative Cyclization of 2-(Arylazo)ethene-1,1-diamines: A One-Pot Approach.
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- European Journal of Organic Chemistry, 2016, v. 2016, n. 15, p. 2700, doi. 10.1002/ejoc.201600256
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- Article
Highlights on the Road towards Highly Emitting Solid‐State Luminophores: Two Classes of Thiazole‐Based Organoboron Fluorophores with the AIEE/AIE Effect.
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- Chemistry - An Asian Journal, 2018, v. 13, n. 3, p. 311, doi. 10.1002/asia.201701526
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Synthesis of 5-Acyl-2-Amino-3-Cyanothiophenes: Chemistry and Fluorescent Properties.
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- Chemistry - An Asian Journal, 2017, v. 12, n. 18, p. 2410, doi. 10.1002/asia.201700721
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- Article
Photocaging of Carboxylic Function Bearing Biomolecules by New Thiazole Derived Fluorophore.
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- Chemistry - A European Journal, 2023, v. 29, n. 59, p. 1, doi. 10.1002/chem.202302079
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- Article
Iodine/Manganese Catalyzed Sulfenylation of Indole via Dehydrogenative Oxidative Coupling in Anisole.
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- Advanced Synthesis & Catalysis, 2020, v. 362, n. 13, p. 2666, doi. 10.1002/adsc.202000291
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Computational modeling of curcumin-based fluorescent probe molecules.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 2, p. 1, doi. 10.1007/s00214-019-2415-4
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NiCo/Al<sub>2</sub>O<sub>3</sub> nanocatalysts for the synthesis of 5-amino-1-pentanol and 1,5-pentanediol from biomass-derived 2-hydroxytetrahydropyran.
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- Green Chemical Engineering, 2024, v. 5, n. 1, p. 119, doi. 10.1016/j.gce.2023.01.003
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Novel carbon nanozymes with enhanced phosphatase-like catalytic activity for antimicrobial applications.
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- Discover Nano, 2023, v. 18, n. 1, p. 1, doi. 10.1186/s11671-023-03856-y
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Simple and biodegradable mesoporous silica nanocarriers for enhancing antitumor therapy through photochemical synergism.
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- Journal of Biomaterials Applications, 2023, v. 38, n. 4, p. 538, doi. 10.1177/08853282231200711
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Carbamazepine and cardiac conduction disturbances.
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- Annals of Neurology, 1987, v. 22, n. 2, p. 280, doi. 10.1002/ana.410220217
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Theoretical study of solvent influence on the electronic absorption and emission spectra of kynurenine.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 14, p. 3799, doi. 10.1002/qua.22929
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Benchmarking of density functionals for a soft but accurate prediction and assignment of <sup>1</sup>H and <sup>13</sup>C NMR chemical shifts in organic and biological molecules.
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- Journal of Computational Chemistry, 2017, v. 38, n. 2, p. 87, doi. 10.1002/jcc.24521
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Source function and plane waves: Toward complete bader analysis.
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- Journal of Computational Chemistry, 2016, v. 37, n. 23, p. 2133, doi. 10.1002/jcc.24433
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