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The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide.
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- Chemistry - A European Journal, 2023, v. 29, n. 67, p. 1, doi. 10.1002/chem.202302449
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- Article
Revisiting sp<sup>2</sup> Dilithio Methandiides: From Geometric Curiosity to Simple Bonding Description.
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- Chemistry - A European Journal, 2023, v. 29, n. 56, p. 1, doi. 10.1002/chem.202301911
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- Article
A Predictive Model for the Pd‐Catalyzed Site‐Selective Oxidation of Diols.
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- Chemistry - A European Journal, 2023, v. 29, n. 44, p. 1, doi. 10.1002/chem.202300318
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- Article
Spark Discharge Doping—Achieving Unprecedented Control over Aggregate Fraction and Backbone Ordering in Poly(3‐hexylthiophene) Solutions.
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- Small, 2023, v. 19, n. 21, p. 1, doi. 10.1002/smll.202207537
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- Article
Spectroscopic Manifestations and Implications for Catalysis of Quasi‐d<sup>10</sup> Configurations in Formal Gold(III) Complexes.
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- Angewandte Chemie, 2023, v. 135, n. 3, p. 1, doi. 10.1002/ange.202215523
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- Article
Spectroscopic Manifestations and Implications for Catalysis of Quasi‐d<sup>10</sup> Configurations in Formal Gold(III) Complexes.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 3, p. 1, doi. 10.1002/anie.202215523
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The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling.
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- Molecules, 2023, v. 28, n. 2, p. 772, doi. 10.3390/molecules28020772
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Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi‐d<sup>10</sup> Configurations.
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- European Journal of Inorganic Chemistry, 2022, v. 2022, n. 27, p. 1, doi. 10.1002/ejic.202200247
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Homolytic X‐H Bond Cleavage at a Gold(III) Hydroxide: Insights into One‐Electron Events at Gold.
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- Chemistry - A European Journal, 2022, v. 28, n. 40, p. 1, doi. 10.1002/chem.202200599
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- Article
Total Synthesis of the Alleged Structure of Crenarchaeol Enables Structure Revision**.
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- Angewandte Chemie, 2021, v. 133, n. 32, p. 17645, doi. 10.1002/ange.202105384
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- Article
Total Synthesis of the Alleged Structure of Crenarchaeol Enables Structure Revision**.
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- Angewandte Chemie International Edition, 2021, v. 60, n. 32, p. 17504, doi. 10.1002/anie.202105384
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- Article
Efficient Computation of Geometries for Gold Complexes.
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- ChemPhysChem, 2021, v. 22, n. 12, p. 1262, doi. 10.1002/cphc.202001052
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Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit.
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- Journal of Computational Chemistry, 2021, v. 42, n. 5, p. 326, doi. 10.1002/jcc.26458
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- Article
Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N‐Type Organic Thermoelectrics.
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- Advanced Materials, 2021, v. 33, n. 4, p. 1, doi. 10.1002/adma.202006694
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Resolving Donor–Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains.
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- Advanced Functional Materials, 2020, v. 30, n. 46, p. 1, doi. 10.1002/adfm.202004799
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N-type organic thermoelectrics: demonstration of ZT > 0.3.
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- Nature Communications, 2020, v. 11, n. 1, p. N.PAG, doi. 10.1038/s41467-020-19537-8
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- Article
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N‐Heterocyclic Carbene Complexes.
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- European Journal of Inorganic Chemistry, 2020, v. 2020, n. 13, p. 1177, doi. 10.1002/ejic.201901115
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- Article
Comparing the Self‐Assembly of Sexiphenyl‐Dicarbonitrile on Graphite and Graphene on Cu(111).
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- Chemistry - A European Journal, 2019, v. 25, n. 19, p. 5065, doi. 10.1002/chem.201806312
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- Article
Identification and tunable optical coherent control of transition-metal spins in silicon carbide.
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- NPJ Quantum Information, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41534-018-0097-8
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- Article
The Pentagonal‐Pyramidal Hexamethylbenzene Dication: Many Shades of Coordination Chemistry at Carbon.
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- Chemistry - A European Journal, 2018, v. 24, n. 47, p. 12340, doi. 10.1002/chem.201705812
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- Article
Valence bonds in elongated boron clusters.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 13, p. 1, doi. 10.1002/qua.25575
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Interpreting the behavior of the by resolving in orbitals, sign, and positions.
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- Journal of Computational Chemistry, 2018, v. 39, n. 9, p. 511, doi. 10.1002/jcc.25095
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- Article
<sup>13</sup>C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes.
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- Chemistry - A European Journal, 2017, v. 23, n. 11, p. 2722, doi. 10.1002/chem.201605502
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Implications of the complete basis set limit in valence bond theory: a case study of molecular hydrogen.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 3, p. 1, doi. 10.1007/s00214-016-1831-y
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Stabilization of the Low-Spin State in a Mononuclear Iron(II) Complex and High-Temperature Cooperative Spin Crossover Mediated by Hydrogen Bonding.
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- Chemistry - A European Journal, 2016, v. 22, n. 1, p. 331, doi. 10.1002/chem.201503119
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- Article
Ring Currents in Benzo- and Benzocyclobutadieno-Annelated Biphenylene Derivatives.
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- ChemPhysChem, 2015, v. 16, n. 1, p. 216, doi. 10.1002/cphc.201402468
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- Article
Strategy for Enhancing the Dielectric Constant of Organic Semiconductors Without Sacrificing Charge Carrier Mobility and Solubility.
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- Advanced Functional Materials, 2015, v. 25, n. 1, p. 150, doi. 10.1002/adfm.201402244
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- Article
The Influence of Side-Chain Position on the Optoelectronic Properties of a Red-Emitting Conjugated Polymer.
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- Macromolecular Chemistry & Physics, 2013, v. 214, n. 9, p. 967, doi. 10.1002/macp.201200681
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A comparison of approaches to estimate the resonance energy.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 127, n. 1/2, p. 19, doi. 10.1007/s00214-010-0793-8
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- Article
Double Aromaticity and Ring Currents in All-Carbon Rings.
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- Chemistry - A European Journal, 2009, v. 15, n. 28, p. 6964, doi. 10.1002/chem.200900322
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- Article
The Phenalenyl Motif: A Magnetic Chameleon.
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- Chemistry - A European Journal, 2007, v. 13, n. 8, p. 2201, doi. 10.1002/chem.200601619
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- Article
A Unified Orbital Model of Delocalised and Localised Currents in Monocycles, from Annulenes to Azabora-heterocycles.
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- Chemistry - A European Journal, 2005, v. 11, n. 4, p. 1257, doi. 10.1002/chem.200400678
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Ring Currents as Probes of the Aromaticity of Inorganic Monocycles : P<sub>5</sub><sup>-</sup>, As<sub>5</sub><sup>-</sup>, S<sub>2</sub>N<sub>2</sub>, S<sub>3</sub>N<sub>3</sub><sup>-</sup>, S<sub>4</sub>N<sub>3</sub><sup>+</sup>, S<sub>4</sub>N<sub>4</sub><sup>2+</sup>, S<sub>5</sub>N<sub>5</sub><sup>+</sup>, S<sub>4</sub><sup>2+</sup> and Se<sub>4</sub><sup>2+</sup>
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- Chemistry - A European Journal, 2004, v. 10, n. 4, p. 940, doi. 10.1002/chem.200305291
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- Article
Photoinduced Charge Separation in Cyclohexylidene-Based Donor-(σ-Bridge)-Acceptor Compounds - Building Blocks for Materials.
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- European Journal of Organic Chemistry, 2003, v. 2003, n. 16, p. 3117, doi. 10.1002/ejoc.200200693
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- Article
Perimeter Effects on Ring Currents in Polycyclic Aromatic Hydrocarbons: Circumcoronene and Two Hexabenzocoronenes.
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- Chemistry - A European Journal, 2003, v. 9, n. 13, p. 2974, doi. 10.1002/chem.200204183
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Valence Bond Descriptions of Benzene and Cyclobutadiene and Their Counterparts with Localized Bonds.
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- International Journal of Quantum Chemistry, 2003, v. 91, n. 4, p. 566, doi. 10.1002/qua.10529
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Paratropic Delocalized Ring Currents in Flattened Cyclooctatetraene Systems with Bond Alternation.
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- Angewandte Chemie International Edition, 2002, v. 41, n. 9, p. 1558, doi. 10.1002/1521-3773(20020503)41:9<1558::AID-ANIE1558>3.0.CO;2-G
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Ring Currents in a Proposed System Containing Planar Hexacoordinate Carbon, CB<sub>6</sub><sup>2−</sup>.
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- Chemistry - A European Journal, 2002, v. 8, n. 5, p. 1068, doi. 10.1002/1521-3765(20020301)8:5<1068::AID-CHEM1068>3.0.CO;2-Z
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- Article
Möbius aromaticity in small [ n] trans-annulenes?
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- International Journal of Quantum Chemistry, 2001, v. 85, n. 1, p. 52, doi. 10.1002/qua.1089
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- Article