Search Results - "Tonachini, Glauco"

Tropospheric Photochemistry of 2-Butenedial: Role of the Triplet States, CO and Acrolein Formation, and the Experimentally Unidentified Carbonyl Compound-Theoretical Study by Maranzana, Andrea, Tonachini, Glauco

“…Solar irradiation of 2-butenedial in the lower troposphere mainly produces isomeric ketene-enol (a key intermediate product), furanones, and maleic anhydride,…”
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Mechanism of the Photochemical Isomerization and Oxidation of 2-Butenedial: A Theoretical Study by Maranzana, Andrea, Tonachini, Glauco

“…Under tropospheric conditions, 2-butenedial is photochemically removed to produce secondary organic aerosol. Upon solar irradiation in the lower troposphere,…”
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The mechanism of the Stevens and Sommelet−Hauser Rearrangements. A Theoretical Study by Ghigo, Giovanni, Cagnina, Stefania, Maranzana, Andrea, Tonachini, Glauco

“…The [1,2] and [2,3] migration steps in the Stevens and Sommelet−Hauser rearrangements which occur in the ylides of quaternary ammonium salts have been studied…”
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The Mechanism of the Acid-Catalyzed Benzidine Rearrangement of Hydrazobenzene: A Theoretical Study by Ghigo, Giovanni, Osella, Silvio, Maranzana, Andrea, Tonachini, Glauco

“…The acid‐catalyzed benzidine rearrangement of hydrazobenzene yields p‐benzidine and diphenyline as the main products and some other secondary products such as…”
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Multireference Study of the H2COO (Criegee Intermediate) + O3 Addition: A Reaction of Possible Tropospheric Interest by Maranzana, Andrea, Tonachini, Glauco

“…The addition of carbonyl oxides to ozone could have an effect on the tropospheric HO• nocturnal formation. Its mechanistic description has provided so far…”
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Multireference Study of the H 2 COO (Criegee Intermediate) + O 3 Addition: A Reaction of Possible Tropospheric Interest by Maranzana, Andrea, Tonachini, Glauco

“…The addition of carbonyl oxides to ozone could have an effect on the tropospheric HO nocturnal formation. Its mechanistic description has provided so far…”
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Modeling Soot and Its Functionalization under Atmospheric or Combustion Conditions by Density Functional Theory within Molecular (Polycyclic-Aromatic-Hydrocarbon-like) and Periodic Methodologies by Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco, Zicovich-Wilson, Claudio M, Causà, Mauro

“…Graphite, and particularly defective graphite, is chosen to model soot particles. Quantum mechanical calculations are first carried out on molecular…”
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Germyl mesolytic dissociations in the allylgermane and penta- 2,4-dienylgermane radical anions. A theoretical study by Antoniotti, Paola, Carra, Claudio, Maranzana, Andrea, Tonachini, Glauco

“…In two stable structures have a trigonal bipyramidal arrangement around Ge, with the extra electron in equatorial (tbp eq) or axial (tbp ax) position. In only…”
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Anthracene and phenanthrene tropospheric oxidation promoted by the nitrate radical in the gas-phase. Theoretical modelistic study by Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco

“…Polycyclic aromatic hydrocarbons and their oxidized derivatives are ubiquitous environmental pollutants that are toxic to different degrees. The NO3 radical is…”
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Antagonistic Functionalized Nucleation and Oxidative Degradation in Combustive Formation of Pyrene-Based Clusters Mediated by Triplet O and O2: Theoretical Study by Maranzana, Andrea, Tonachini, Glauco

“…Polycyclic aromatic hydrocarbons (PAHs) and carbonaceous nanoparticles can be oxidized right from their inception and all through their growth. Oxidation can…”
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Antagonistic Functionalized Nucleation and Oxidative Degradation in Combustive Formation of Pyrene‐Based Clusters Mediated by Triplet O and O 2 : Theoretical Study by Maranzana, Andrea, Tonachini, Glauco

“…Polycyclic aromatic hydrocarbons (PAHs) and carbonaceous nanoparticles can be oxidized right from their inception and all through their growth. Oxidation can…”
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Mechanistic dichotomy in the gas‐phase addition of NO3 to polycyclic aromatic hydrocarbons: Theoretical study by Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco

“…The gas‐phase addition mechanism of the NO3 radical (an important tropospheric nocturnal oxidizing species) to some selected polycyclic aromatic hydrocarbons…”
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Mechanistic dichotomy in the gas‐phase addition of NO 3 to polycyclic aromatic hydrocarbons: Theoretical study by Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco

“…The gas‐phase addition mechanism of the NO 3 radical (an important tropospheric nocturnal oxidizing species) to some selected polycyclic aromatic hydrocarbons…”
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First Ring Formation by Radical Addition of Propargyl to But-1-ene-3-yne in Combustion. Theoretical Study of the C7H7 Radical System by Trogolo, Daniela, Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco

“…Combustive formation of a first carbon ring is an important step in the growth of polycyclic aromatic hydrocarbons (PAHs) and soot platelets. Propargyl radical…”
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Memory Effects in Carbocation Rearrangements: Structural and Dynamic Study of the Norborn-2-en-7-ylmethyl‑X Solvolysis Case by Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco

“…The solvolysis of two diastereomers may give the same two products, but in different ratios, notwithstanding the fact that the two reaction pathways share an…”
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Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O 2 , Following Initial HO Attack. Theoretical Study by Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco

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Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study by Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco

“…Butadiyne (diacetylene, HC4H) is produced during combustions, and has been quantified in different flames as well as a biomass burning emission. Its reaction…”
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Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O sub(2), Following Initial HO Attack. Theoretical Study by Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco

“…Butadiyne (diacetylene, HC sub(4)H) is produced during combustions, and has been quantified in different flames as well as a biomass burning emission. Its…”
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Mechanism of the Anionic Wittig Rearrangement. An ab Initio Theoretical Study by Antoniotti, Paola, Tonachini, Glauco

“…The mechanism of [1,2] methyl Wittig migration in the simple free and lithiated anionic H2COCH3 model system is investigated at the CAS-MCSCF and CCSD(T)…”
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Carbonaceous Nanoparticle Molecular Inception from Radical Addition and van der Waals Coagulation of Polycyclic Aromatic Hydrocarbon-Based Systems. A Theoretical Study by Giordana, Anna, Maranzana, Andrea, Tonachini, Glauco

“…Carbon nanoparticles, generated during combustion at relatively low [O2] or under pyrolysis conditions, can be seen both as soot precursors and as primary…”
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