Search Results - "Del Nero, Jordan"
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Solvent effects on low-lying absorptions and vibrational spectra of thieno[3,4-b]pyrazines: the role of unconventional C–H···N bonds
Published in Chemical papers (01-06-2019)“…Difunctionalized thieno[3,4- b ]pyrazines are a class of fused-ring systems used as precursors for copolymers and since these molecules were first synthesized,…”
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2
Investigation of the Anticorrosive Activity of Piper divaricatum Essential Oil on Steel in 1 M HCl
Published in ACS omega (12-11-2024)“…Piper divaricatum essential oil (PDEO), extracted from plants of the Brazilian Amazon, was investigated for the first time as a novel green or eco-friendly…”
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3
Development of a chemiresistor sensor based on polymers-dye blend for detection of ethanol vapor
Published in Sensors (Basel, Switzerland) (01-04-2010)“…The conductive blend of the poly (3,4-ethylene dioxythiophene) and polystyrene sulfonated acid (PEDOT-PSS) polymers were doped with Methyl Red (MR) dye in the…”
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4
Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics
Published in Journal of molecular structure (15-08-2023)“…•Thisresearch that there is a good chance of a relationship between these anchoring results and the effectiveness of Mycobacterium tuberculosis treatment.•The…”
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5
Giant values obtained for first hyperpolarizabilities of methyl orange: a DFT investigation
Published in Theoretical chemistry accounts (01-02-2019)“…Advances in photonics and optoelectronics depend on proposing new materials with well-defined nonlinear optics properties. Based on the foundations of density…”
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6
Theory of zwitterionic molecular-based organic magnets
Published in Chemical physics letters (05-08-2011)“…[Display omitted] ► Molecular magnetic materials containing only carbon, nitrogen and hydrogen atoms. ► The electronic structure examined using higher order…”
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7
Molecular dynamics of carbon nanotube bundles as molecular sieves
Published in Journal of nanoscience and nanotechnology (01-06-2011)“…In this work we investigate a system composed by a bundle of carbon nanotube (BuCNT) confronted with fatty acid surrounded. The system consists of a rigid open…”
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8
Theoretical and experimental investigation into environment dependence and electric properties for volatile memory based on methyl-red dye thin film
Published in Solid-state electronics (01-12-2010)“…The environment dependence and electric properties of Ni/ methyl-red/ Ni organic device were both theoretically and experimentally investigated at room…”
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9
The entrapment of organic dyes into sol–gel matrix: Experimental results and modeling for photonic applications
Published in Optical materials (01-05-2008)“…To better understand the electronic absorption spectra in the UV–vis region of the methyl red (MR) dye in its anionic, isoelectronic and zwitterionic forms in…”
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10
Ensinando ciências físicas com experimentos simples no 5º ano do ensino fundamental da educação básica
Published in Revista brasileira de ensino de ciência e tecnologia (13-03-2019)“…Neste artigo descrevemos uma proposta de atividade experimental dos conteúdos de ciências físicas com 42 alunos de duas turmas de 5º ano do Ensino Fundamental…”
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11
Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation
Published in Optical materials (01-08-2019)“…A challenge in Photonics and Optoelectronics is to take advantage of specific environmental forces to enhance the nonlinear optical response of π-organic…”
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12
Electronic structure of dithienopyrrole, dithienothiophene and thionaphtheneindole
Published in Synthetic metals (01-05-1999)“…Dithienopyrrole (DP), Dithienothiophene (DT) and Thionaphtheneindole (TNI) are electrochromic semiconductor polymers that possess very similar electronic…”
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Journal Article Conference Proceeding -
13
Electronic transport via DTF-NEGF at bipyridine junctions with 1D organic electrodes
Published in Physica. E, Low-dimensional systems & nanostructures (01-01-2022)“…In this work, we study the properties of electronic transport in molecular junctions formed by bipyridine isomers as central region coupled at electrodes of…”
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14
Tuning transport properties in carbyne-DNA fragments-carbyne devices
Published in Materials letters (01-04-2023)“…[Display omitted] •A-T/G-C bases with nucleoside and nucleotide weakly coupled to polyyne electrodes are investigated.•HOMO locate at A and G while LUMO locate…”
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15
Coupling effects in bipyridines linked to carbon nanowires
Published in Journal of molecular structure (05-03-2024)Get full text
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16
Theoretical investigation of electronic transport mechanism in molecular junction by tunneling
Published in Physica. B, Condensed matter (15-04-2021)“…In the present work, we have investigated the electronic transport mechanism through molecular junctions by tunneling in 1D and quasi-1D systems. The first is…”
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17
Optical spectroscopy of heterocycles based on pyrrole, furan and thiophene
Published in Synthetic metals (01-05-1999)“…Recently Joshi et al synthesised a serie of nine triheterocycles based on pirrole, furan and thiophene. All the systems were chemically polymerised and…”
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Journal Article Conference Proceeding -
18
Modeling of alkynes: synthesis and theoretical properties
Published in Materials research (São Carlos, São Paulo, Brazil) (01-06-2003)“…In this paper we present the synthesis and simulation of alkynes derivatives. Semiempirical calculations were carried out for the ground and first excited…”
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19
Organic field effect transistor composed by fullerene C60 and heterojunctions
Published in Physica. E, Low-dimensional systems & nanostructures (01-02-2017)“…We present a study of the complex electronic behavior of a fullerene (C60) molecule attached to six leads (heterojunctions), which works as a three-dimension…”
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20
Dye incorporation in polyphosphate gels: synthesis and theoretical calculations
Published in Materials research (São Carlos, São Paulo, Brazil) (01-06-2003)“…In this work we described theoretical calculations on the electronic structure and optical properties of the dyes crystal violet and malachite green based in…”
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