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Electronic Structure Modulation of Nanographenes for Second Order Nonlinear Optical Molecular Materials.
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- ChemPlusChem, 2023, v. 88, n. 8, p. 1, doi. 10.1002/cplu.202300279
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- Article
Bending Effect on the Electronic Properties and Nonlinear Optical Responses of Linear Porphyrin Oligomer.
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- Advanced Theory & Simulations, 2023, v. 6, n. 6, p. 1, doi. 10.1002/adts.202300082
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- Article
Electronic Structures and NLO Properties of a Series of TMDs Lateral‐Core–Shell Heterostructures Quantum Dots.
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- Advanced Theory & Simulations, 2023, v. 6, n. 4, p. 1, doi. 10.1002/adts.202200791
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- Article
Giant Shift Photovoltaic Current in Group V‐V Binary Nanosheets.
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- Advanced Theory & Simulations, 2022, v. 5, n. 4, p. 1, doi. 10.1002/adts.202100472
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- Article
Surface-Confined Single-Layer Covalent Organic Framework on Single-Layer Graphene Grown on Copper Foil.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 36, p. 9564, doi. 10.1002/anie.201400273
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- Article
Butterfly‐Shaped Nanographenes with Excellent Second‐Order Nonlinear Optical Properties: The Synergy of B/N and Azulene.
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- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202203110
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- Article
Improved tensile properties of Mg-8Sn-1Zn alloy induced by minor Ti addition.
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- China Foundry, 2016, v. 13, n. 3, p. 151, doi. 10.1007/s41230-016-5073-3
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- Article
Corrosion behavior of as-cast binary Mg-Bi alloys in Hank's solution.
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- China Foundry, 2015, v. 12, n. 6, p. 425
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- Article
Theoretical studies on the electronic and optical properties of arene- versus fluoroarene-thiophene co-oligomer.
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- Journal of Physical Organic Chemistry, 2009, v. 22, n. 7, p. 680, doi. 10.1002/poc.1499
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Theoretical Studies on the Electronic and Optical Properties of a New Class of Aromatic Oligomers and Polymers.
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- Chinese Journal of Chemistry, 2008, v. 26, n. 5, p. 818, doi. 10.1002/cjoc.200890152
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- Article
Structural, nonlinear optical, and vibration properties of the C<sub>40</sub> H<sub>10</sub> buckybowl modified with nitrogen atoms.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 21, p. 1553, doi. 10.1002/qua.24976
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- Article
Theoretical studies of Au<sub> m</sub> and PtAu<sub> n</sub> clusters and their N<sub>2</sub> and O<sub>2</sub> adsorption complexes.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 1, p. 65, doi. 10.1002/qua.23200
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- Article
Ab initio studies of vacancy-defected fullerenes and single-walled carbon nanotubes.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3441, doi. 10.1002/qua.22298
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- Article
Surface-Confined Single-Layer Covalent Organic Framework on Single-Layer Graphene Grown on Copper Foil.
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- Angewandte Chemie, 2014, v. 126, n. 36, p. 9718, doi. 10.1002/ange.201400273
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- Article
Implementation of Outstanding Electronic Transport in Polar Covalent Boron Nitride Atomic Chains: another Extraordinary Odd-Even Behaviour.
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- Scientific Reports, 2016, p. 26389, doi. 10.1038/srep26389
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- Article
Exploring long-wave infrared transmitting materials with A<sub>x</sub>B<sub>y</sub> form: First-principles gene-like studies.
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- Scientific Reports, 2016, p. 21912, doi. 10.1038/srep21912
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- Article
Modeling nonlinear optics of nanosystems with sum-over-states model.
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- Journal of Computational Chemistry, 2012, v. 33, n. 4, p. 466, doi. 10.1002/jcc.21992
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Structures, stabilities, electronic, and optical properties of C<sub>64</sub> fullerene isomers, anions (C<STACK><sub>64</sub><sup>2-</sup></STACK> and C<sub>64</sub><sup>4-</sup>), metallofullerene Sc<sub>2</sub>@C<sub>64</sub>, and Sc<sub>2</sub>C<sub>2</sub>@C<sub>64</sub>
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- Journal of Computational Chemistry, 2008, v. 29, n. 16, p. 2623, doi. 10.1002/jcc.21021
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Electronic properties of tricoordinated phosphorus in hexagonal phosphininium compounds and molecular aromaticity.
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- Journal of Computational Chemistry, 2007, v. 28, n. 9, p. 1467, doi. 10.1002/jcc.20650
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Synthesis of One-Dimensional Schiff Base Polymers that Contain an Oligothiophene Building Block on the Graphite Surface.
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- Chemistry - A European Journal, 2015, v. 21, n. 18, p. 6898, doi. 10.1002/chem.201406287
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- Article
Structures, stabilities, aromaticity, and electronic properties of C<sub>66</sub> fullerene isomers, anions (C<sub>66</sub><sup>2−</sup>, C<sub>66</sub><sup>4−</sup>, C<sub>66</sub><sup>6−</sup>), and metallofullerenes (Sc<sub>2</sub>@C<sub>66</sub>)
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- Journal of Nanoparticle Research, 2010, v. 12, n. 2, p. 429, doi. 10.1007/s11051-009-9651-9
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Excitation to defect-bound band edge states in two-dimensional semiconductors and its effect on carrier transport.
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- NPJ Computational Materials, 2019, v. 5, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0145-0
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A Theoretical Study on Structures, Bonding Energies and Aromaticity of Two New Series of Dinuclear Phosphametallocenes: (η5-P5)MM′(η5-P5) and (η5-C5H5)MM′(η5-P5) (M, M′ = Zn, Cd).
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- European Journal of Inorganic Chemistry, 2006, v. 2006, n. 14, p. 2808
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From Graphene to Carbon Nanotubes: Variation of the Electronic States and Nonlinear Optical Responses.
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- ChemPhysChem, 2015, v. 16, n. 10, p. 2151, doi. 10.1002/cphc.201500173
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- Article
Slide Fastener Reduction of Graphene-Oxide Edges by Calcium: Insight from Ab Initio Molecular Dynamics.
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- ChemPhysChem, 2014, v. 15, n. 13, p. 2707, doi. 10.1002/cphc.201402057
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- Article
Influence of Spiral Framework on Nonlinear Optical Materials.
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- ChemPhysChem, 2014, v. 15, n. 5, p. 929, doi. 10.1002/cphc.201301149
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Inside Cover: Influence of Spiral Framework on Nonlinear Optical Materials (ChemPhysChem 5/2014).
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- ChemPhysChem, 2014, v. 15, n. 5, p. 806, doi. 10.1002/cphc.201490021
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- Article
C<sub>68</sub> Fullerene Isomers, Anions, and their Metallofullerenes: Charge-Stabilizing Different Isomers.
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- ChemPhysChem, 2008, v. 9, n. 3, p. 454, doi. 10.1002/cphc.200700616
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Structures and Electronic Properties of C<sub>56</sub>Cl<sub>8</sub> and C<sub>56</sub>Cl<sub>10</sub> Fullerene Compounds.
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- ChemPhysChem, 2007, v. 8, n. 16, p. 2386, doi. 10.1002/cphc.200700405
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Structures, Stabilities, and Electronic and Optical Properties of C<sub>58</sub> Fullerene Isomers, Ions, and Metallofullerenes.
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- ChemPhysChem, 2007, v. 8, n. 7, p. 1029, doi. 10.1002/cphc.200600785
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- Article
Clarification of the Molecular Doping Mechanism in Organic Single‐Crystalline Semiconductors and their Application in Color‐Tunable Light‐Emitting Devices.
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- Advanced Materials, 2018, v. 30, n. 43, p. N.PAG, doi. 10.1002/adma.201801078
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Electronic properties and nonlinear optical responses of boron/nitrogen-doped zigzag graphene nanoribbons.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 7, p. 620, doi. 10.1139/cjc-2016-0037
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The electronic properties and nonlinear optical responses of the intermediate structures in rolling graphene to carbon nanotubes.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 1, p. 50, doi. 10.1139/cjc-2015-0325
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- Article