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Neither too Classic nor too Exotic: One‐Electron Na⋅B Bond in NaBH<sub>3</sub><sup>−</sup> Cluster.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 23, p. 12857, doi. 10.1002/ange.202101403
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- Article
Planar Hexacoordinate Carbons: Half Covalent, Half Ionic.
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- Angewandte Chemie, 2021, v. 133, n. 16, p. 8782, doi. 10.1002/ange.202100940
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- Article
Steady State Kinetics for Enzymes with Multiple Binding Sites Upstream of the Catalytic Site.
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- Symmetry (20738994), 2023, v. 15, n. 12, p. 2176, doi. 10.3390/sym15122176
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- Article
Binding Studies and Quantitative Structure-Activity Relationship of 3-Amino-1 H-Indazoles as Inhibitors of GSK3β.
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- Chemical Biology & Drug Design, 2011, v. 78, n. 4, p. 631, doi. 10.1111/j.1747-0285.2011.01186.x
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- Article
Why is quercetin a better antioxidant than taxifolin? Theoretical study of mechanisms involving activated forms.
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- Journal of Molecular Modeling, 2013, v. 19, n. 5, p. 2165, doi. 10.1007/s00894-012-1732-5
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- Article
Topological analysis of tetraphosphorus oxides (PO (n = 0-4)).
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- Journal of Molecular Modeling, 2013, v. 19, n. 5, p. 2057, doi. 10.1007/s00894-012-1633-7
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- Article
Insights on the structural and electronic properties of ScCn+, YCn+, LaCn+ (n = 3–6) systems.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 9, p. 1, doi. 10.1007/s00214-016-1976-8
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- Article
Chemical bonding analysis in boron clusters by means of localized orbitals according to the electron localization function topology.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 3, p. 1, doi. 10.1007/s00214-015-1627-5
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- Article
Deciphering the Molecular Interaction Process of Gallium Maltolate on SARS-CoV-2 Main and Papain-Like Proteases: A Theoretical Study.
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- Biophysica, 2024, v. 4, n. 2, p. 182, doi. 10.3390/biophysica4020013
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- Article
Exploring the Potential Energy Surface of Medium-Sized Aromatic Polycyclic Systems with Embedded Planar Tetracoordinate Carbons: A Guided Approach.
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- Chemistry (2624-8549), 2023, v. 5, n. 3, p. 1535, doi. 10.3390/chemistry5030105
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- Article
Analysis of Local and Global Aromaticity in Si<sub>3</sub>C<sub>5</sub> and Si<sub>4</sub>C<sub>8</sub> Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon.
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- Chemistry (2624-8549), 2021, v. 3, n. 4, p. 1101, doi. 10.3390/chemistry3040080
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- Article
Symmetry-adapted formulation of the hybrid treatment resulting from the G-particle-hole Hypervirial equation and equations of motion methods: a procedure for modeling solids.
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- Journal of Mathematical Chemistry, 2021, v. 59, n. 2, p. 488, doi. 10.1007/s10910-020-01208-0
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- Article
Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA.
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- PLoS ONE, 2015, v. 10, n. 11, p. 1, doi. 10.1371/journal.pone.0142774
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- Article
Study of the Affinity between the Protein Kinase PKA and Peptide Substrates Derived from Kemptide Using Molecular Dynamics Simulations and MM/GBSA.
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- PLoS ONE, 2014, v. 9, n. 10, p. 1, doi. 10.1371/journal.pone.0109639
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- Article
Insights into the Interactions between Maleimide Derivates and GSK3β Combining Molecular Docking and QSAR.
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- PLoS ONE, 2014, v. 9, n. 7, p. 1, doi. 10.1371/journal.pone.0102212
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- Article
New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons.
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- ChemPhysChem, 2024, v. 25, n. 12, p. 1, doi. 10.1002/cphc.202400271
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- Article
BH<sub>4</sub>Ng<sup>+</sup> (Ar−Rn): Viable Compounds with a B−Ng Covalent Bond.
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- ChemPhysChem, 2023, v. 24, n. 4, p. 1, doi. 10.1002/cphc.202200601
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- Article
Hitting the Bull's Eye: Stable HeBeOH<sup>+</sup> Complex.
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- ChemPhysChem, 2022, v. 23, n. 23, p. 1, doi. 10.1002/cphc.202200587
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- Article
Bowl‐shaped Cluster CuB<sub>12</sub><sup>−</sup>: A Viable Global Minimum with Twofold Aromaticity.
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- ChemPhysChem, 2022, v. 23, n. 19, p. 1, doi. 10.1002/cphc.202200366
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- Article
Li<sub>8</sub>Si<sub>8</sub>, Li<sub>10</sub>Si<sub>9</sub>, and Li<sub>12</sub>Si<sub>10</sub>: Assemblies of Lithium‐Silicon Aromatic Units.
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- ChemPhysChem, 2021, v. 22, n. 10, p. 906, doi. 10.1002/cphc.202001051
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- Article
Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] π‐System.
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- ChemPhysChem, 2020, v. 21, n. 2, p. 145, doi. 10.1002/cphc.201900998
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- Article
Searching for Systems with Planar Hexacoordinate Carbons.
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- Atoms (2218-2004), 2023, v. 11, n. 3, p. 56, doi. 10.3390/atoms11030056
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- Article
Persistent Planar Tetracoordinate Carbon in Global Minima Structures of Silicon-Carbon Clusters.
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- Atoms (2218-2004), 2022, v. 10, n. 1, p. 27, doi. 10.3390/atoms10010027
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- Article
Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field.
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- ChemistryOpen, 2019, v. 8, n. 3, p. 321, doi. 10.1002/open.201800238
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- Article
Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives.
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- ChemistryOpen, 2015, v. 4, n. 3, p. 302, doi. 10.1002/open.201402110
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- Article
Planar Elongated B 12 Structure in M 3 B 12 Clusters (M = Cu-Au).
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- Molecules, 2023, v. 28, n. 1, p. 236, doi. 10.3390/molecules28010236
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- Article
Si<sub>6</sub>C<sub>18</sub>: A bispentalene derivative with two planar tetracoordinate carbons.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 1, p. 1, doi. 10.1002/qua.27008
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- Article
Relativistic effects on the ring current strengths of the substituted borazine: B<sub>3</sub>N<sub>3</sub>H<sub>6</sub> (X=H, F, Cl, Br, I, At).
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 11, p. N.PAG, doi. 10.1002/qua.25859
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- Article
An orbital localization criterion based on the topological analysis of the electron localization function at correlated level.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 14, p. 1, doi. 10.1002/qua.25588
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- Article
An orbital localization criterion based on the topological analysis of the electron localization function.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 9, p. 1401, doi. 10.1002/qua.24332
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- Article
(Li<sub>6</sub>Si<sub>5</sub>)<sub>2–5</sub>: The Smallest Cluster‐Assembled Materials Based on Aromatic Si<sub>5</sub><sup>6−</sup> Rings.
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- Chemistry - A European Journal, 2019, v. 25, n. 10, p. 2467, doi. 10.1002/chem.201805677
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- Article
Li<sub>6</sub>E<sub>5</sub>Li<sub>6</sub>: Tetrel Sandwich Complexes with 10‐π‐Electrons.
- Published in:
- Angewandte Chemie, 2024, v. 136, n. 5, p. 1, doi. 10.1002/ange.202317848
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- Article
B<sub>7</sub>Be<sub>6</sub>B<sub>7</sub>: A Boron‐Beryllium Sandwich Complex.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 31, p. 1, doi. 10.1002/ange.202304997
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- Article
Optimal graph-based and Simplified Molecular Input Line Entry System-based descriptors for quantitative structure-activity relationship analysis of arylalkylaminoalcohols, arylalkenylamines, and arylalkylamines as σ<sub>1</sub> receptor ligands.
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- Journal of Chemometrics, 2015, v. 29, n. 1, p. 13, doi. 10.1002/cem.2650
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- Article
Li<sub>6</sub>E<sub>5</sub>Li<sub>6</sub>: Tetrel Sandwich Complexes with 10‐π‐Electrons.
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- Angewandte Chemie International Edition, 2024, v. 63, n. 5, p. 1, doi. 10.1002/anie.202317848
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- Publication type:
- Article
B<sub>7</sub>Be<sub>6</sub>B<sub>7</sub>: A Boron‐Beryllium Sandwich Complex.
- Published in:
- Angewandte Chemie International Edition, 2023, v. 62, n. 31, p. 1, doi. 10.1002/anie.202304997
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- Publication type:
- Article
Neither too Classic nor too Exotic: One‐Electron Na⋅B Bond in NaBH<sub>3</sub><sup>−</sup> Cluster.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 23, p. 12747, doi. 10.1002/anie.202101403
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- Publication type:
- Article
Planar Hexacoordinate Carbons: Half Covalent, Half Ionic.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 16, p. 8700, doi. 10.1002/anie.202100940
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- Publication type:
- Article
1,3-Dipolar Cycloaddition of Nitrile Imines with Cyclic α-β-Unsaturated Ketones: A Regiochemical Route to Ring-Fused Pyrazoles.
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- European Journal of Organic Chemistry, 2011, v. 2011, n. 25, p. 4806, doi. 10.1002/ejoc.201100558
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- Article
Alterations of Mitochondrial Biology in the Oral Mucosa of Chilean Children with Autism Spectrum Disorder (ASD).
- Published in:
- Cells (2073-4409), 2019, v. 8, n. 4, p. 367, doi. 10.3390/cells8040367
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- Article
Kinetic study on the.
- Published in:
- Journal of Physical Organic Chemistry, 2014, v. 27, n. 8, p. 670, doi. 10.1002/poc.3316
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- Article
E<sub>5</sub>M<sub>7</sub><sup>+</sup> (E=C–Pb, M=Li–Cs): A Source of Viable Star‐Shaped Clusters.
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- Chemistry - An Asian Journal, 2018, v. 13, n. 13, p. 1751, doi. 10.1002/asia.201800654
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- Article
Quercetin Affects Erythropoiesis and Heart Mitochondrial Function in Mice.
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- Oxidative Medicine & Cellular Longevity, 2015, v. 2015, p. 1, doi. 10.1155/2015/836301
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- Article
Cover Feature: Aromaticity of [M<sub>3</sub>(µ‐X)<sub>3</sub>X<sub>6</sub>]<sup>0/2–</sup> (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field (Eur. J. Inorg. Chem. 28/2018).
- Published in:
- 2018
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- Cover Art
Aromaticity of [M<sub>3</sub>(µ‐X)<sub>3</sub>X<sub>6</sub>]<sup>0/2–</sup> (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field.
- Published in:
- European Journal of Inorganic Chemistry, 2018, v. 2018, n. 28, p. 3312, doi. 10.1002/ejic.201800339
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- Publication type:
- Article
Striking Borane Planarization in the Thermal Rearrangement (η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(η<sup>3</sup>‐B<sub>5</sub>H<sub>10</sub>)→(η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(η<sup>5</sup>‐B<sub>5</sub>H<sub>10</sub>)
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 40, p. 1, doi. 10.1002/chem.202401536
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- Article
Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations.
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- Chemistry - A European Journal, 2024, v. 30, n. 1, p. 1, doi. 10.1002/chem.202302415
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- Article
Cover Feature: Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins (Chem. Eur. J. 6/2023).
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202300066
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- Article
Quest for the Most Aromatic Pathway in Charged Expanded Porphyrins.
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- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202202264
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- Article
Planar Hypercoordinate Carbons in Alkali Metal Decorated CE<sub>3</sub><sup>2−</sup> and CE<sub>2</sub><sup>2−</sup> Dianions.
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- Chemistry - A European Journal, 2021, v. 27, n. 67, p. 16701, doi. 10.1002/chem.202102864
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- Article