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Solvent Coordination Effect on Copper-Based Molecular Catalysts for Controlled Radical Polymerization.
- Published in:
- Catalysts (2073-4344), 2022, v. 12, n. 12, p. 1656, doi. 10.3390/catal12121656
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- Article
Chalcogen-Nitrogen Bond: Insights into a Key Chemical Motif.
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- Catalysts (2073-4344), 2021, v. 11, n. 1, p. 114, doi. 10.3390/catal11010114
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- Article
Editorial: Special Issue on "Advanced Strategies for Catalyst Design".
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- 2021
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- Publication type:
- Editorial
In Silico Acetylene [2+2+2] Cycloadditions Catalyzed by Rh/Cr Indenyl Fragments.
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- Catalysts (2073-4344), 2019, v. 9, n. 8, p. 679, doi. 10.3390/catal9080679
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- Publication type:
- Article
In silico Studies on the Interaction between Mpro and PLpro From SARS‐CoV‐2 and Ebselen, its Metabolites and Derivatives.
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- Molecular Informatics, 2021, v. 40, n. 8, p. 1, doi. 10.1002/minf.202100028
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- Publication type:
- Article
Synthesis of the Prototypical Cyclic Metallocene Triad: Mixed-Valence Properties of [(FeCp)<sub>3</sub>(trindenyl)] Isomers.
- Published in:
- Angewandte Chemie International Edition, 2008, v. 47, n. 29, p. 5331, doi. 10.1002/anie.200801124
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- Publication type:
- Article
Back Cover: In Silico Design of Heteroaromatic Half-Sandwich Rh<sup>I</sup> Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect (Chem. Eur. J. 40/2013).
- Published in:
- Chemistry - A European Journal, 2013, v. 19, n. 40, p. 13604, doi. 10.1002/chem.201390158
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- Publication type:
- Article
In Silico Design of Heteroaromatic Half-Sandwich Rh<sup>I</sup> Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect.
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- Chemistry - A European Journal, 2013, v. 19, n. 40, p. 13337, doi. 10.1002/chem.201301990
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- Publication type:
- Article
From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential.
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- Molecules, 2022, v. 27, n. 13, p. 4144, doi. 10.3390/molecules27134144
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- Publication type:
- Article
Selenoxide Elimination Triggers Enamine Hydrolysis to Primary and Secondary Amines: A Combined Experimental and Theoretical Investigation.
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- Molecules, 2021, v. 26, n. 9, p. 2770, doi. 10.3390/molecules26092770
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- Publication type:
- Article
Molecular Docking Study on Several Benzoic Acid Derivatives against SARS-CoV-2.
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- Molecules, 2020, v. 25, n. 24, p. 5828, doi. 10.3390/molecules25245828
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- Publication type:
- Article
The 125Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface.
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- Molecules, 2019, v. 24, n. 7, p. 1250, doi. 10.3390/molecules24071250
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- Publication type:
- Article
Cover Feature: Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model (ChemistryOpen 2/2019).
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- ChemistryOpen, 2019, v. 8, n. 2, p. 133, doi. 10.1002/open.201900003
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- Publication type:
- Article
Half‐Sandwich Metal‐Catalyzed Alkyne [2+2+2] Cycloadditions and the Slippage Span Model.
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- ChemistryOpen, 2019, v. 8, n. 2, p. 143, doi. 10.1002/open.201800191
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- Publication type:
- Article
Front Cover: Proton Transfer and S<sub>N</sub>2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx (ChemPlusChem 4/2021).
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- ChemPlusChem, 2021, v. 86, n. 4, p. 520, doi. 10.1002/cplu.202100007
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- Publication type:
- Article
Proton Transfer and S<sub>N</sub>2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx.
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- ChemPlusChem, 2021, v. 86, n. 4, p. 524, doi. 10.1002/cplu.202000781
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- Publication type:
- Article
Proton Transfer and S<sub>N</sub>2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx.
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- ChemPlusChem, 2021, v. 86, n. 4, p. 525, doi. 10.1002/cplu.202000660
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- Publication type:
- Article
Benzodithiophene and Benzotrithiophene as π Cores for Two- and Three-Blade Propeller-Shaped Ferrocenyl-Based Conjugated Systems.
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- European Journal of Organic Chemistry, 2017, v. 2017, n. 40, p. 5966, doi. 10.1002/ejoc.201701045
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- Publication type:
- Article
Radical Scavenging Potential of the Phenothiazine Scaffold: A Computational Analysis.
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- ChemMedChem, 2021, v. 16, n. 24, p. 3763, doi. 10.1002/cmdc.202100546
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- Publication type:
- Article
Antioxidant Chimeric Molecules: Are Chemical Motifs Additive? The Case of a Selenium-Based Ligand.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 14, p. 11797, doi. 10.3390/ijms241411797
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- Publication type:
- Article
The Key Role of Chalcogenurane Intermediates in the Reduction Mechanism of Sulfoxides and Selenoxides by Thiols Explored In Silico.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 9, p. 7754, doi. 10.3390/ijms24097754
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- Publication type:
- Article
Group 9 Metallacyclopentadienes as Key Intermediates in [2+2+2] Alkyne Cyclotrimerizations. Insight from Activation Strain Analyses.
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- ChemPhysChem, 2018, v. 19, n. 14, p. 1766, doi. 10.1002/cphc.201800178
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- Publication type:
- Article
Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site.
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- ChemPhysChem, 2017, v. 18, n. 21, p. 2950, doi. 10.1002/cphc.201701128
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- Publication type:
- Article
Front Cover: Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site (ChemPhysChem 21/2017).
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- ChemPhysChem, 2017, v. 18, n. 21, p. 2947, doi. 10.1002/cphc.201701129
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- Publication type:
- Article
Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site.
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- ChemPhysChem, 2017, v. 18, n. 21, p. 2990, doi. 10.1002/cphc.201700743
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- Publication type:
- Article
Major Depressive Disorder and Oxidative Stress: In Silico Investigation of Fluoxetine Activity against ROS.
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- Applied Sciences (2076-3417), 2019, v. 9, n. 17, p. 3631, doi. 10.3390/app9173631
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- Publication type:
- Article
Mechanistic Insight into SARS-CoV-2 M pro Inhibition by Organoselenides: The Ebselen Case Study.
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- Applied Sciences (2076-3417), 2021, v. 11, n. 14, p. 6291, doi. 10.3390/app11146291
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- Publication type:
- Article
Front Cover: Indenyl and Allyl Palladate Complexes Bearing N‐Heterocyclic Carbene Ligands: an Easily Accessible Class of New Anticancer Drug Candidates (Eur. J. Inorg. Chem. 16/2022).
- Published in:
- European Journal of Inorganic Chemistry, 2022, v. 2022, n. 16, p. 1, doi. 10.1002/ejic.202200264
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- Publication type:
- Article
Indenyl and Allyl Palladate Complexes Bearing N‐Heterocyclic Carbene Ligands: an Easily Accessible Class of New Anticancer Drug Candidates.
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- European Journal of Inorganic Chemistry, 2022, v. 2022, n. 16, p. 1, doi. 10.1002/ejic.202200103
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- Publication type:
- Article
Synthesis, Structural Characterization and Antiproliferative Activity of Gold(I) and Gold(III) Complexes Bearing Thioether‐Functionalized N‐Heterocyclic Carbenes.
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- European Journal of Inorganic Chemistry, 2021, v. 2021, n. 40, p. 4196, doi. 10.1002/ejic.202100495
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- Publication type:
- Article
Chalcogen–mercury bond formation and disruption in model Rabenstein's reactions: A computational analysis.
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- Journal of Computational Chemistry, 2020, v. 41, n. 23, p. 2045, doi. 10.1002/jcc.26371
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- Publication type:
- Article
Insights on selenium and tellurium diaryldichalcogenides: A benchmark DFT study.
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- Journal of Computational Chemistry, 2016, v. 37, n. 18, p. 1672, doi. 10.1002/jcc.24383
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- Publication type:
- Article
Metal-Metal Electronic Coupling in syn and anti Stereoisomers of Mixed-Valent (FeCp)<sub>2</sub>-, (RhL<sub>2</sub>)<sub>2</sub>-, and (FeCp)(RhL<sub>2</sub>)- as-Indacenediide Ions.
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- Chemistry - A European Journal, 2007, v. 13, n. 28, p. 7933, doi. 10.1002/chem.200700052
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- Publication type:
- Article
Tuning the Electronic Communication in Heterobimetallic Mixed-Valence Ions of (1-Ferrocenyl)- and (2-Ferrocenyl)indenyl Rhodium Isomers.
- Published in:
- Chemistry - A European Journal, 2007, v. 13, n. 7, p. 1955, doi. 10.1002/chem.200600724
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- Publication type:
- Article
103Rh NMR Chemical Shifts in Organometallic Complexes: A Combined Experimental and Density Functional Study.
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- Chemistry - A European Journal, 2004, v. 10, n. 16, p. 4029, doi. 10.1002/chem.200305671
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- Publication type:
- Article
Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 3, p. 1, doi. 10.1007/s00214-012-1191-1
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- Publication type:
- Article
Mechanistic Insight into the Oxidation of Organic Phenylselenides by H<sub>2</sub>O<sub>2</sub>.
- Published in:
- Chemistry - A European Journal, 2017, v. 23, n. 10, p. 2405, doi. 10.1002/chem.201604915
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- Publication type:
- Article
Light-Induced Porphyrin-Based Spectroscopic Ruler for Nanometer Distance Measurements.
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- Chemistry - A European Journal, 2016, v. 22, n. 48, p. 17204, doi. 10.1002/chem.201603666
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- Publication type:
- Article
Light-Induced Porphyrin-Based Spectroscopic Ruler for Nanometer Distance Measurements.
- Published in:
- Chemistry - A European Journal, 2016, v. 22, n. 48, p. 17059, doi. 10.1002/chem.201604825
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- Publication type:
- Article
Cover Picture: Light-Induced Porphyrin-Based Spectroscopic Ruler for Nanometer Distance Measurements (Chem. Eur. J. 48/2016).
- Published in:
- Chemistry - A European Journal, 2016, v. 22, n. 48, p. 17049, doi. 10.1002/chem.201604824
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- Publication type:
- Article
A Review on Surface-Enhanced Raman Scattering.
- Published in:
- Biosensors (2079-6374), 2019, v. 9, n. 2, p. 57, doi. 10.3390/bios9020057
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- Publication type:
- Article
A Joint Experimental and Computational Study on the Electronic Communication in Diethynylaryl‐Bridged (η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(η<sup>2</sup>‐dppe) and (η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(CO)<sub>2</sub> Units
- Published in:
- European Journal of Inorganic Chemistry, 2006, v. 2006, n. 13, p. 2582, doi. 10.1002/ejic.200600024
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- Publication type:
- Article
Synthesis of Selenium-Based Small Molecules Inspired by CNS-Targeting Psychotropic Drugs and Mediators.
- Published in:
- Chemistry (2624-8549), 2023, v. 5, n. 3, p. 1488, doi. 10.3390/chemistry5030101
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- Publication type:
- Article
Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium-Catalyzed Acetylene [2+2+2] Cyclotrimerization.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 1, p. 219, doi. 10.1002/cphc.201300934
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- Publication type:
- Article
Radical Scavenging Potential of Ginkgolides and Bilobalide: Insight from Molecular Modeling.
- Published in:
- Antioxidants, 2023, v. 12, n. 2, p. 525, doi. 10.3390/antiox12020525
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- Publication type:
- Article
Selenium-Catalyzed Reduction of Hydroperoxides in Chemistry and Biology.
- Published in:
- Antioxidants, 2021, v. 10, n. 10, p. 1560, doi. 10.3390/antiox10101560
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- Publication type:
- Article
Antioxidant Potential of Psychotropic Drugs: From Clinical Evidence to In Vitro and In Vivo Assessment and toward a New Challenge for in Silico Molecular Design.
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- Antioxidants, 2020, v. 9, n. 8, p. 714, doi. 10.3390/antiox9080714
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- Publication type:
- Article
Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PL<sup>pro</sup>: insights from computational chemistry studies.
- Published in:
- Journal of Molecular Modeling, 2022, v. 28, n. 11, p. 1, doi. 10.1007/s00894-022-05341-2
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- Publication type:
- Article