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Energetics and Structures of Charged Helium Clusters: Comparing Stabilities of Dimer and Trimer Cationic Cores.
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- ChemPhysChem, 2008, v. 9, n. 17, p. 2618, doi. 10.1002/cphc.200800457
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- Article
Cover Picture: Chemical Solutions in a Quantum Solvent: Anionic Electrolytes in <sup>4</sup>He Nanodroplets (ChemPhysChem 9/2008).
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- ChemPhysChem, 2008, v. 9, n. 9, p. 1209, doi. 10.1002/cphc.200890035
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- Article
Chemical Solutions in a Quantum Solvent: Anionic Electrolytes in <sup>4</sup>He Nanodroplets.
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- ChemPhysChem, 2008, v. 9, n. 9, p. 1323, doi. 10.1002/cphc.200800132
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- Article
Microsolvation of an Ionic Dopant in Small 4He Clusters: OH+(3?)(4He)N via Genetic Algorithm Optimizations.
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- ChemPhysChem, 2007, v. 8, n. 1, p. 93, doi. 10.1002/cphc.200600440
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Experimental and DFT/Time-Dependent DFT Studies on Neutral and One-Electron-Reduced Quinoxaline and Pyrazine Precursors and Their Mononuclear (Pd<sup>II</sup>, Pt<sup>II</sup>) Derivatives.
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- European Journal of Inorganic Chemistry, 2014, v. 2014, n. 22, p. 3572, doi. 10.1002/ejic.201402282
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Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields.
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- Molecules, 2024, v. 29, n. 7, p. 1524, doi. 10.3390/molecules29071524
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About the Formation of NH 2 OH + from Gas Phase Reactions under Astrochemical Conditions.
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- Molecules, 2023, v. 28, n. 7, p. 2932, doi. 10.3390/molecules28072932
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A Computational Analysis of the Reaction of SO 2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids.
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- Molecules, 2022, v. 27, n. 11, p. 3604, doi. 10.3390/molecules27113604
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A Review on Coordination Properties of Al(III) and Fe(III) toward Natural Antioxidant Molecules: Experimental and Theoretical Insights.
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- Molecules, 2021, v. 26, n. 9, p. 2603, doi. 10.3390/molecules26092603
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Computational NMR Spectroscopy of Ionic Liquids: [C4C1im]Cl/Water Mixtures.
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- Molecules, 2020, v. 25, n. 9, p. 2085, doi. 10.3390/molecules25092085
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- Article
Structural Features of Triethylammonium Acetate through Molecular Dynamics.
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- Molecules, 2020, v. 25, n. 6, p. 1432, doi. 10.3390/molecules25061432
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- Article
Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries.
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- NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-021-00597-3
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Actual Symmetry of Symmetric Molecular Adducts in the Gas Phase, Solution and in the Solid State.
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- Symmetry (20738994), 2021, v. 13, n. 5, p. 756, doi. 10.3390/sym13050756
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Magnetic Properties of Nickel-Titanium Alloy during Martensitic Transformations under Plastic and Elastic Deformation.
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- Symmetry (20738994), 2021, v. 13, n. 4, p. 665, doi. 10.3390/sym13040665
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Recognition of Heavy Metal Ions by Using E-5-((5-Isopropyl-3,8-Dimethylazulen-1-yl) Dyazenyl)-1H-Tetrazole Modified Electrodes.
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- Symmetry (20738994), 2021, v. 13, n. 4, p. 644, doi. 10.3390/sym13040644
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- Article
Structure-Property Relationship in Selected Naphtho- and Anthra-Quinone Derivatives on the Basis of Density Functional Theory and Car–Parrinello Molecular Dynamics.
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- Symmetry (20738994), 2021, v. 13, n. 4, p. 564, doi. 10.3390/sym13040564
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Artificial Symmetries for Calculating Vibrational Energies of Linear Molecules.
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- Symmetry (20738994), 2021, v. 13, n. 4, p. 548, doi. 10.3390/sym13040548
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Flurbiprofen: A Study of the Behavior of the Scalemate by Chromatography, Sublimation, and NMR.
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- Symmetry (20738994), 2021, v. 13, n. 4, p. 543, doi. 10.3390/sym13040543
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Theoretical Study of closo -Borate Anions [B n H n ] 2− (n = 5–12): Bonding, Atomic Charges, and Reactivity Analysis.
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- Symmetry (20738994), 2021, v. 13, n. 3, p. 464, doi. 10.3390/sym13030464
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Theoretical Insights into the Structure of the Aminotris(Methylenephosphonic Acid) (ATMP) Anion: A Possible Partner for Conducting Ionic Media.
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- Symmetry (20738994), 2020, v. 12, n. 6, p. 920, doi. 10.3390/sym12060920
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Superoxide Anion Disproportionation Induced by Li<sup>+</sup> and H<sup>+</sup>: Pathways to <sup>1</sup>O<sub>2</sub> Release in Li−O<sub>2</sub> Batteries.
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- ChemPhysChem, 2020, v. 21, n. 18, p. 2027, doi. 10.1002/cphc.202000745
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Superoxide Anion Disproportionation Induced by Li<sup>+</sup> and H<sup>+</sup>: Pathways to <sup>1</sup>O<sub>2</sub> Release in Li−O<sub>2</sub> Batteries.
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- ChemPhysChem, 2020, v. 21, n. 18, p. 2060, doi. 10.1002/cphc.202000318
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- Article
CO<sub>2</sub> Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms.
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- ChemistryOpen, 2020, v. 9, n. 11, p. 1153, doi. 10.1002/open.202000275
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Amino Acid Oxidation: A Combined Study of Cysteine Oxo Forms by IRMPD Spectroscopy and Simulations.
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- Chemistry - A European Journal, 2016, v. 22, n. 48, p. 17239, doi. 10.1002/chem.201603298
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Back Cover: Amino Acid Oxidation: A Combined Study of Cysteine Oxo Forms by IRMPD Spectroscopy and Simulations (Chem. Eur. J. 48/2016).
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- Chemistry - A European Journal, 2016, v. 22, n. 48, p. 17488, doi. 10.1002/chem.201604434
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- Article
Anion Recognition by Uranyl-Salophen Derivatives as Probed by Infrared Multiple Photon Dissociation Spectroscopy and Ab Initio Modeling.
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- Chemistry - A European Journal, 2014, v. 20, n. 37, p. 11783, doi. 10.1002/chem.201402788
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On the formation of propylene oxide from propylene in space: gas-phase reactions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 8, p. N.PAG, doi. 10.1007/s00214-019-2485-3
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Interaction of NH $$({X} {3}{\Sigma} {-})$$ with Rb and Cs atoms: similarities and differences from an highly correlated ab initio study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 649, doi. 10.1007/s00214-006-0193-2
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- Article