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Homochiral and Heterochiral Self‐Sorting Assemblies of Antiaromatic Ni(II) Norcorrole Dimers.
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- Chemistry - A European Journal, 2024, v. 30, n. 39, p. 1, doi. 10.1002/chem.202400292
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- Article
A Triply Linked Porphyrin‐Norcorrole Hybrid with Singlet Diradical Character.
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- Angewandte Chemie, 2024, v. 136, n. 16, p. 1, doi. 10.1002/ange.202401233
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- Article
A Triply Linked Porphyrin‐Norcorrole Hybrid with Singlet Diradical Character.
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- Angewandte Chemie International Edition, 2024, v. 63, n. 16, p. 1, doi. 10.1002/anie.202401233
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- Article
Theoretical Study on the Open-Shell Electronic Structure and Electron Conductivity of [18]Annulene as a Molecular Parallel Circuit Model.
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- Nanomaterials (2079-4991), 2024, v. 14, n. 1, p. 98, doi. 10.3390/nano14010098
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- Article
Stacked antiaromaticity in the π‐congested space between the aromatic rings in the anthracene dimer.
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- Journal of Physical Organic Chemistry, 2023, v. 36, n. 1, p. 1, doi. 10.1002/poc.4451
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- Article
Medium Diradical Character, Small Hole and Electron Reorganization Energies and Ambipolar Transistors in Difluorenoheteroles.
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- Angewandte Chemie, 2022, v. 134, n. 33, p. 1, doi. 10.1002/ange.202206680
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Medium Diradical Character, Small Hole and Electron Reorganization Energies and Ambipolar Transistors in Difluorenoheteroles.
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- Angewandte Chemie International Edition, 2022, v. 61, n. 33, p. 1, doi. 10.1002/anie.202206680
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- Article
Dianion and Dication of Tetracyclopentatetraphenylene as Decoupled Annulene‐within‐an‐Annulene Models.
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- Angewandte Chemie, 2022, v. 134, n. 6, p. 1, doi. 10.1002/ange.202115316
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- Article
Innentitelbild: Dianion and Dication of Tetracyclopentatetraphenylene as Decoupled Annulene‐within‐an‐Annulene Models (Angew. Chem. 6/2022).
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- Angewandte Chemie, 2022, v. 134, n. 6, p. 1, doi. 10.1002/ange.202200440
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Dianion and Dication of Tetracyclopentatetraphenylene as Decoupled Annulene‐within‐an‐Annulene Models.
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- Angewandte Chemie International Edition, 2022, v. 61, n. 6, p. 1, doi. 10.1002/anie.202115316
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- Article
Inside Cover: Dianion and Dication of Tetracyclopentatetraphenylene as Decoupled Annulene‐within‐an‐Annulene Models (Angew. Chem. Int. Ed. 6/2022).
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- Angewandte Chemie International Edition, 2022, v. 61, n. 6, p. 1, doi. 10.1002/anie.202200440
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- Article
A Tale of Two Isomers: Enhanced Antiaromaticity/Diradical Character versus Deleterious Ring‐Opening of Benzofuran‐fused s‐Indacenes and Dicyclopenta[b,g]naphthalenes.
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- Angewandte Chemie, 2021, v. 133, n. 41, p. 22559, doi. 10.1002/ange.202107855
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- Article
A Tale of Two Isomers: Enhanced Antiaromaticity/Diradical Character versus Deleterious Ring‐Opening of Benzofuran‐fused s‐Indacenes and Dicyclopenta[b,g]naphthalenes.
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- Angewandte Chemie International Edition, 2021, v. 60, n. 41, p. 22385, doi. 10.1002/anie.202107855
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- Article
Characterization of Benzo[a]naphtho[2,3‐f]pentalene: Interrelation between Open‐shell and Antiaromatic Characters Governed by Mode of the Quinoidal Subunit and Molecular Symmetry.
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- Chemistry - An Asian Journal, 2021, v. 16, n. 12, p. 1553, doi. 10.1002/asia.202100398
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- Article
Ultrafast Exciton Self‐Trapping and Delocalization in Cycloparaphenylenes: The Role of Excited‐State Symmetry in Electron‐Vibrational Coupling.
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- Angewandte Chemie, 2020, v. 132, n. 39, p. 17137, doi. 10.1002/ange.202006066
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- Article
Ultrafast Exciton Self‐Trapping and Delocalization in Cycloparaphenylenes: The Role of Excited‐State Symmetry in Electron‐Vibrational Coupling.
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- Angewandte Chemie International Edition, 2020, v. 59, n. 39, p. 16989, doi. 10.1002/anie.202006066
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- Article
Corrigendum: Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings.
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- Asian Journal of Organic Chemistry, 2019, v. 8, n. 6, p. 916, doi. 10.1002/ajoc.201900251
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- Article
A BODIPY-Bridged Bisphenoxyl Diradicaloid: Solvent-Dependent Diradical Character and Physical Properties.
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- Molecules, 2019, v. 24, n. 8, p. 1446, doi. 10.3390/molecules24081446
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- Article
A Tetrasilicon Analogue of Bicyclo[1.1.0]but‐1(3)‐ene Containing a Si=Si Double Bond with an Inverted Geometry.
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- Angewandte Chemie, 2019, v. 131, n. 13, p. 4415, doi. 10.1002/ange.201900824
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- Article
A Tetrasilicon Analogue of Bicyclo[1.1.0]but‐1(3)‐ene Containing a Si=Si Double Bond with an Inverted Geometry.
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- Angewandte Chemie International Edition, 2019, v. 58, n. 13, p. 4371, doi. 10.1002/anie.201900824
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- Article
Light-Induced Control of the Spin Distribution on Cu–Dithiolene Complexes: A Correlated Ab Initio Study.
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- Molecules, 2019, v. 24, n. 6, p. 1088, doi. 10.3390/molecules24061088
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- Article
A Phosphorus Analogue of p‐Quinodimethane with a Planar P<sub>4</sub> Ring: A Metal‐Free Diphosphorus Source.
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- Chemistry - A European Journal, 2019, v. 25, n. 13, p. 3244, doi. 10.1002/chem.201805932
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- Article
A Density Functional Theory-Based Scheme to Compute the Redox Potential of a Transition Metal Complex: Applications to Heme Compound.
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- Molecules, 2019, v. 24, n. 4, p. 819, doi. 10.3390/molecules24040819
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- Article
Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems.
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- Molecules, 2019, v. 24, n. 4, p. 821, doi. 10.3390/molecules24040821
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- Article
Synthesis, Characterization, Absorption Properties, and Electronic Structures of Paddlewheel-Type Dirhodium(II) Tetra-μ-(n-naphthoate) Complexes: An Experimental and Theoretical Study.
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- Molecules, 2019, v. 24, n. 3, p. 447, doi. 10.3390/molecules24030447
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- Article
Extent of Spin Contamination Errors in DFT/Plane-wave Calculation of Surfaces: A Case of Au Atom Aggregation on a MgO Surface.
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- Molecules, 2019, v. 24, n. 3, p. 505, doi. 10.3390/molecules24030505
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- Article
Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates.
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- Molecules, 2019, v. 24, n. 3, p. 541, doi. 10.3390/molecules24030541
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- Article
Quantum Master Equation Approach to Singlet Fission Dynamics in Pentacene Linear Aggregate Models: Size Dependences of Excitonic Coupling Effects.
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- Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 89, doi. 10.1002/jcc.25539
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- Article
Structural Changes of the Trinuclear Copper Center in Bilirubin Oxidase upon Reduction.
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- Molecules, 2019, v. 24, n. 1, p. 76, doi. 10.3390/molecules24010076
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- Article
Curve Effect on Singlet Diradical Contribution in Kekulé-type Diradicals: A Sensitive Probe for Quinoidal Structure in Curved π-Conjugated Molecules.
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- Molecules, 2019, v. 24, n. 1, p. 209, doi. 10.3390/molecules24010209
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- Article
Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results.
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- Molecules, 2018, v. 23, n. 12, p. 3332, doi. 10.3390/molecules23123332
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- Article
Diradical Character Enhancement by Spacing: N‐Heterocyclic Carbene Analogues of Müller's Hydrocarbon.
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- Chemistry - A European Journal, 2018, v. 24, n. 62, p. 16537, doi. 10.1002/chem.201804524
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- Article
Cover Feature: Theoretical Study on Open‐Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π‐Stacked Dimers Composed of Weak Open‐Shell Antiaromatic Porphyrins (ChemPhysChem 21/2018).
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- ChemPhysChem, 2018, v. 19, n. 21, p. 2807, doi. 10.1002/cphc.201800910
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- Article
Theoretical Study on Open‐Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π‐Stacked Dimers Composed of Weak Open‐Shell Antiaromatic Porphyrins.
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- ChemPhysChem, 2018, v. 19, n. 21, p. 2863, doi. 10.1002/cphc.201800745
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- Article
Cover Feature: Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings (Asian J. Org. Chem. 11/2018).
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- Asian Journal of Organic Chemistry, 2018, v. 7, n. 11, p. 2128, doi. 10.1002/ajoc.201800556
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- Article
Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings.
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- Asian Journal of Organic Chemistry, 2018, v. 7, n. 11, p. 2320, doi. 10.1002/ajoc.201800390
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- Article
Frontispiece: Evaluation of Aromaticity for Open‐Shell Singlet Dicyclopenta‐Fused Acenes and Polyacenes Based on a Magnetically Induced Current.
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- Chemistry - A European Journal, 2018, v. 24, n. 51, p. 1, doi. 10.1002/chem.201885165
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- Article
Evaluation of Aromaticity for Open‐Shell Singlet Dicyclopenta‐Fused Acenes and Polyacenes Based on a Magnetically Induced Current.
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- Chemistry - A European Journal, 2018, v. 24, n. 51, p. 13457, doi. 10.1002/chem.201802696
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- Article
Benzonorcorrole Ni<sup>II</sup> Complexes: Enhancement of Paratropic Ring Current and Singlet Diradical Character by Benzo‐Fusion.
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- Angewandte Chemie, 2018, v. 130, n. 8, p. 2231, doi. 10.1002/ange.201712961
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- Article
Benzonorcorrole Ni<sup>II</sup> Complexes: Enhancement of Paratropic Ring Current and Singlet Diradical Character by Benzo‐Fusion.
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- Angewandte Chemie International Edition, 2018, v. 57, n. 8, p. 2209, doi. 10.1002/anie.201712961
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- Article
Tunability of Open‐Shell Character, Charge Asymmetry, and Third‐Order Nonlinear Optical Properties of Covalently Linked (Hetero)Phenalenyl Dimers.
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- Chemistry - A European Journal, 2018, v. 24, n. 8, p. 1913, doi. 10.1002/chem.201704679
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- Article
Synthesis of the Unknown Indeno[1,2- a]fluorene Regioisomer: Crystallographic Characterization of Its Dianion.
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- Angewandte Chemie, 2017, v. 129, n. 48, p. 15565, doi. 10.1002/ange.201709282
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- Article
Synthesis of the Unknown Indeno[1,2- a]fluorene Regioisomer: Crystallographic Characterization of Its Dianion.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 48, p. 15363, doi. 10.1002/anie.201709282
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- Article
Inside Cover: Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups (ChemistryOpen 4/2017).
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- ChemistryOpen, 2017, v. 6, n. 4, p. 454, doi. 10.1002/open.201700126
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- Article
Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups.
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- ChemistryOpen, 2017, v. 6, n. 4, p. 506, doi. 10.1002/open.201700083
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- Article
Generation of Aromatic (Dehydro)benzoannulene Dications Stabilized by Platinum Catecholate Complexes.
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- ChemPlusChem, 2017, v. 82, n. 7, p. 1052, doi. 10.1002/cplu.201700018
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Theoretical investigation of curved π-conjugated fullerene flakes: open-shell character, aromaticity, and third-order nonlinear optical property.
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- Journal of Physical Organic Chemistry, 2017, v. 30, n. 4, p. n/a, doi. 10.1002/poc.3581
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- Article
Inside Cover: A Puckered Singlet Cyclopentane-1,3-diyl: Detection of the Third Isomer in Homolysis (Chem. Eur. J. 7/2016).
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- Chemistry - A European Journal, 2016, v. 22, n. 7, p. 2186, doi. 10.1002/chem.201504855
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- Article
A Puckered Singlet Cyclopentane-1,3-diyl: Detection of the Third Isomer in Homolysis.
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- Chemistry - A European Journal, 2016, v. 22, n. 7, p. 2299, doi. 10.1002/chem.201503975
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- Article
Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene- S, S-dioxide Rings.
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- Chemistry - A European Journal, 2016, v. 22, n. 4, p. 1493, doi. 10.1002/chem.201503705
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- Article