Found: 79
Select item for more details and to access through your institution.
Borospherene in the Nanohoop: Complexation and Aromaticity of Neutral and Dioxidized Cycloparaphenylene Supramolecules with B40 and C60 Fullerenes.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 49, p. 1, doi. 10.1002/chem.202402027
- By:
- Publication type:
- Article
Front Cover: Coinage Metal Complexes of a Sterically Encumbered Anionic Pyridylborate (Chem. Eur. J. 48/2024).
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 48, p. 1, doi. 10.1002/chem.202484801
- By:
- Publication type:
- Article
Coinage Metal Complexes of a Sterically Encumbered Anionic Pyridylborate.
- Published in:
- Chemistry - A European Journal, 2024, v. 30, n. 48, p. 1, doi. 10.1002/chem.202401204
- By:
- Publication type:
- Article
[(Me<sub>3</sub>Si)Si]<sub>3</sub>EtGe<sub>9</sub>Pd(PPh<sub>3</sub>), a Pentafunctionalized Deltahedral Zintl Cluster: Synthesis, Structure, and Solution Dynamics.
- Published in:
- Angewandte Chemie, 2016, v. 128, n. 30, p. 8772, doi. 10.1002/ange.201603374
- By:
- Publication type:
- Article
[Ge<sub>9</sub>{Si(SiMe<sub>3</sub>)<sub>3</sub>}<sub>3</sub>{SnPh<sub>3</sub>}]: A Tetrasubstituted and Neutral Deltahedral Nine-Atom Cluster.
- Published in:
- Angewandte Chemie International Edition, 2012, v. 51, n. 34, p. 8581, doi. 10.1002/anie.201202906
- By:
- Publication type:
- Article
A Chemical-Biological Evaluation of Rhodium(I) N-Heterocyclic Carbene Complexes as Prospective Anticancer Drugs.
- Published in:
- Chemistry - A European Journal, 2013, v. 19, n. 52, p. 17871, doi. 10.1002/chem.201302819
- By:
- Publication type:
- Article
Geometrically Specific Imino Complexes of the [Re<sub>6</sub>(μ<sub>3</sub>-Se)<sub>8</sub>]<sup>2+</sup> Core-Containing Clusters.
- Published in:
- Chemistry - A European Journal, 2011, v. 17, n. 2, p. 580, doi. 10.1002/chem.201001975
- By:
- Publication type:
- Article
Oxidative Perhydroxylation of [ closo-B<sub>12</sub>H<sub>12</sub>]<sup>2−</sup> to the Stable Inorganic Cluster Redox System [B<sub>12</sub>(OH)<sub>12</sub>]<sup>2−/.−</sup>: Experiment and Theory.
- Published in:
- Chemistry - A European Journal, 2010, v. 16, n. 37, p. 11242, doi. 10.1002/chem.201001374
- By:
- Publication type:
- Article
Terminal and Internal Alkyne Complexes and Azide-Alkyne Cycloaddition Chemistry of Copper(I) Supported by a Fluorinated Bis(pyrazolyl)borate.
- Published in:
- Molecules, 2022, v. 27, n. 1, p. 16, doi. 10.3390/molecules27010016
- By:
- Publication type:
- Article
Occurrence of Double Bond in π -Aromatic Rings: An Easy Way to Design Doubly Aromatic Carbon-Metal Structures.
- Published in:
- Molecules, 2021, v. 26, n. 23, p. 7232, doi. 10.3390/molecules26237232
- By:
- Publication type:
- Article
Development of Antibacterial and Antifungal Triazole Chromium(III) and Cobalt(II) Complexes: Synthesis and Biological Activity Evaluations.
- Published in:
- Molecules, 2018, v. 23, n. 8, p. 2013, doi. 10.3390/molecules23082013
- By:
- Publication type:
- Article
Antibacterial Activities of Azole Complexes Combined with Silver Nanoparticles.
- Published in:
- Molecules, 2018, v. 23, n. 2, p. 361, doi. 10.3390/molecules23020361
- By:
- Publication type:
- Article
Coordination Polymers Containing 1,3-Phenylenebis-((1H-1,2,4-triazol-1-yl)methanone) Ligand: Synthesis and ε-Caprolactone Polymerization Behavior.
- Published in:
- Molecules, 2017, v. 22, n. 11, p. 1860, doi. 10.3390/molecules22111860
- By:
- Publication type:
- Article
Influence of Ag<sup>+</sup> on the Magnetic Response of [2.2.2]Paracyclophane: NMR Properties of a Prototypical Organic Host for Cation Binding Based on DFT Calculations.
- Published in:
- ChemistryOpen, 2015, v. 4, n. 5, p. 651, doi. 10.1002/open.201500106
- By:
- Publication type:
- Article
Cover Feature: Isolable 1‐Butene Copper(I) Complexes and 1‐Butene/Butane Separation Using Structurally Adaptable Copper Pyrazolates (3/2021).
- Published in:
- ChemPlusChem, 2021, v. 86, n. 3, p. 349, doi. 10.1002/cplu.202100006
- By:
- Publication type:
- Article
Isolable 1‐Butene Copper(I) Complexes and 1‐Butene/Butane Separation Using Structurally Adaptable Copper Pyrazolates.
- Published in:
- ChemPlusChem, 2021, v. 86, n. 3, p. 364, doi. 10.1002/cplu.202000694
- By:
- Publication type:
- Article
Bonding and <sup>13</sup>C‐NMR properties of coinage metal tris(ethylene) and tris(norbornene) complexes: Evaluation of the role of relativistic effects from DFT calculations.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 27, p. 1848, doi. 10.1002/jcc.26987
- By:
- Publication type:
- Article
Inhibition of C. albicans Dimorphic Switch by Cobalt(II) Complexes with Ligands Derived from Pyrazoles and Dinitrobenzoate: Synthesis, Characterization and Biological Activity.
- Published in:
- International Journal of Molecular Sciences, 2019, v. 20, n. 13, p. 3237, doi. 10.3390/ijms20133237
- By:
- Publication type:
- Article
Aromaticity of ortho and meta 8‐Cycloparaphenylene and Their Dications: Induced Magnetic Field Analysis with Localized and Delocalized Orbitals in Strained Nanohoops.
- Published in:
- ChemPhysChem, 2021, v. 22, n. 8, p. 741, doi. 10.1002/cphc.202100057
- By:
- Publication type:
- Article
In Silico Design of Cylindrophanes: The Role of Functional Groups in a Fluoride Selective Host.
- Published in:
- ChemPhysChem, 2020, v. 21, n. 17, p. 1989, doi. 10.1002/cphc.202000321
- By:
- Publication type:
- Article
Cover Feature: Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar‐Planar, Planar‐Spherical and Spherical‐Spherical Aromatics (ChemPhysChem 13/2020).
- Published in:
- ChemPhysChem, 2020, v. 21, n. 13, p. 1342, doi. 10.1002/cphc.202000511
- By:
- Publication type:
- Article
Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar‐Planar, Planar‐Spherical and Spherical‐Spherical Aromatics.
- Published in:
- ChemPhysChem, 2020, v. 21, n. 13, p. 1384, doi. 10.1002/cphc.202000322
- By:
- Publication type:
- Article
Helicenes as Molecular Tweezers in the Formation of Cation−π Complexes. Bonding and Circular Dichroism Properties from Relativistic DFT Calculations.
- Published in:
- ChemPhysChem, 2018, v. 19, n. 18, p. 2321, doi. 10.1002/cphc.201800470
- By:
- Publication type:
- Article
Cover Feature: [Au<sub>12</sub>(SR)<sub>6</sub>]<sup>2−</sup>, As Smaller 8‐Electron Gold Nanocluster Retaining an SP<sup>3</sup>‐Core. Evaluation of Bonding and Optical Properties from Relativistic DFT Calculations (ChemPhysChem 15/2018)
- Published in:
- ChemPhysChem, 2018, v. 19, n. 15, p. 1800, doi. 10.1002/cphc.201800642
- By:
- Publication type:
- Article
[Au<sub>12</sub>(SR)<sub>6</sub>]<sup>2−</sup>, As Smaller 8‐Electron Gold Nanocluster Retaining an SP<sup>3</sup>‐Core. Evaluation of Bonding and Optical Properties from Relativistic DFT Calculations.
- Published in:
- ChemPhysChem, 2018, v. 19, n. 15, p. 1846, doi. 10.1002/cphc.201800088
- By:
- Publication type:
- Article
Evaluation of Hollow Golden Icosahedrons: Bonding and Spherical Aromatic Properties of [Au<sub>11</sub>E]<sup>3−</sup> Superatoms (E=Se and Te) from Relativistic DFT calculations, Persistent Structures?
- Published in:
- ChemPhysChem, 2017, v. 18, n. 1, p. 87, doi. 10.1002/cphc.201600906
- By:
- Publication type:
- Article
Structural Evolution and Electronic Properties of Intermediate Sized Ti<sub>n</sub>(n=33--60) Clusters.
- Published in:
- Advanced Theory & Simulations, 2021, v. 4, n. 12, p. 1, doi. 10.1002/adts.202100283
- By:
- Publication type:
- Article
Exploring the Size‐Dependent Hydrogen Storage Property on Ti‐Doped B<sub>n</sub> Clusters by Diatomic Deposition: Temperature Controlled H<sub>2</sub> Release.
- Published in:
- Advanced Theory & Simulations, 2021, v. 4, n. 7, p. 1, doi. 10.1002/adts.202100043
- By:
- Publication type:
- Article
[(Me<sub>3</sub>Si)Si]<sub>3</sub>EtGe<sub>9</sub>Pd(PPh<sub>3</sub>), a Pentafunctionalized Deltahedral Zintl Cluster: Synthesis, Structure, and Solution Dynamics.
- Published in:
- Angewandte Chemie International Edition, 2016, v. 55, n. 30, p. 8630, doi. 10.1002/anie.201603374
- By:
- Publication type:
- Article
Biological Activity of Complexes Involving Nitro-Containing Ligands and Crystallographic-Theoretical Description of 3,5-DNB Complexes.
- Published in:
- International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6536, doi. 10.3390/ijms25126536
- By:
- Publication type:
- Article
Tuning Mechanically Interlocked Molecules to Recognize Anions and Cations: A Computational Study.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 41, p. 1, doi. 10.1002/chem.202203905
- By:
- Publication type:
- Article
[Nb@Ge<sub>13/14</sub>]<sup>3−</sup>: New Family Members of Ge‐Based Intermetalloid Clusters.
- Published in:
- Chemistry - A European Journal, 2022, v. 28, n. 62, p. 1, doi. 10.1002/chem.202202192
- By:
- Publication type:
- Article
Aromaticity Survival in Hydrofullerenes: The Case of C<sub>66</sub>H<sub>4</sub> with Its π‐Aromatic Circuits.
- Published in:
- Chemistry - A European Journal, 2021, v. 27, n. 2, p. 802, doi. 10.1002/chem.202004322
- By:
- Publication type:
- Article
Endohedral Plumbaspherenes of the Group 9 Metals: Synthesis, Structure and Properties of the [M@Pb<sub>12</sub>]<sup>3−</sup> (M=Co, Rh, Ir) Ions.
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 26, p. 5824, doi. 10.1002/chem.201905451
- By:
- Publication type:
- Article
Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu<sub>12</sub>@Sn<sub>20</sub>]<sup>12−</sup>.
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 10, p. 2263, doi. 10.1002/chem.201905088
- By:
- Publication type:
- Article
Spherical Aromaticity of All‐Metal [Bi@In<sub>8</sub>Bi<sub>12</sub>]<sup>3−/5−</sup> Clusters.
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 9, p. 2073, doi. 10.1002/chem.201905264
- By:
- Publication type:
- Article
Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes.
- Published in:
- Chemistry - A European Journal, 2020, v. 26, n. 1, p. 326, doi. 10.1002/chem.201904390
- By:
- Publication type:
- Article
Visualizing NMR‐shielding effect in fullerene‐ZnPc aggregates: Characteristic patterns of ZnP‐based hosts and encapsulation nature from DFT calculations.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 5, p. 1, doi. 10.1002/qua.26500
- By:
- Publication type:
- Article
On the <sup>13</sup>C‐NMR chemical shift anisotropy patterns and aromatic character in strained fullerenes: Computational analysis of D<sub>6h</sub>/D<sub>2d</sub>‐C<sub>36</sub> fullerene.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 2, p. 1, doi. 10.1002/qua.26437
- By:
- Publication type:
- Article
Nature of C<sub>60</sub> and C<sub>70</sub> fullerene encapsulation in a porphyrin‐ and metalloporphyrin‐based cage: Insights from dispersion‐corrected density functional theory calculations.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 3, p. N.PAG, doi. 10.1002/qua.26080
- By:
- Publication type:
- Article
Nature of mercury inclusion in intermediate 6‐valence electron [M@Au<sub>8</sub>Hg<sub>x</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>n+</sup> (M = Au, Pd, Pt; x = 0‐2) protected gold superatoms: Insights from relativistic density functional theory calculations
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 2, p. N.PAG, doi. 10.1002/qua.26068
- By:
- Publication type:
- Article
Role of donor‐acceptor functional groups in N<sub>3</sub>P<sub>3</sub> cyclic‐triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state‐natural orbital for the chemical valence scheme
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 1, p. N.PAG, doi. 10.1002/qua.26057
- By:
- Publication type:
- Article
Stabilizing heteroatom‐centered 16‐vertex group 11 tetrahedral architectures: Bonding and structural considerations toward versatile endohedral species.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 24, p. N.PAG, doi. 10.1002/qua.26038
- By:
- Publication type:
- Article
Aromatic character of O<sub>h</sub>‐C<sub>24</sub>N<sub>24</sub>. A cavernous nitride fullerene bearing N<sub>4</sub>‐macrocycle motifs.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 13, p. N.PAG, doi. 10.1002/qua.25919
- By:
- Publication type:
- Article
Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18‐electron W@Au<sub>12</sub>Pt<sub>n</sub> (n = 0‐4) superatomic clusters from relativistic DFT calculations.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25827
- By:
- Publication type:
- Article
On the cation–π capabilities of small all sp<sup>2</sup>‐carbon host structures. Evaluation of [6.8]<sub>3</sub>cyclacene from relativistic DFT calculations.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 4, p. N.PAG, doi. 10.1002/qua.25811
- By:
- Publication type:
- Article
Theoretical chemistry in Latin America.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 2, p. N.PAG, doi. 10.1002/qua.25852
- By:
- Publication type:
- Article
Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 2, p. N.PAG, doi. 10.1002/qua.25777
- By:
- Publication type:
- Article
Bonding and properties of superatoms. Analogs to atoms and molecules and related concepts from superatomic clusters.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 2, p. N.PAG, doi. 10.1002/qua.25756
- By:
- Publication type:
- Article
Fulfilling the 2(N+1)<sup>2</sup> Hirsch rule in smaller hollow fullerenes. Evaluation of long‐range magnetic behavior and NMR patterns of C<sub>28</sub>, <sub>,</sub> C<sub>24</sub>N<sub>4,</sub> and C<sub>28</sub>H<sub>4</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 19, p. 1, doi. 10.1002/qua.25645
- By:
- Publication type:
- Article