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Tags: Química atmosférica

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Evidencias de diferenciación magmática hacia el final del Gondwana Uruguayo

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Energetics of the OH radical H-abstraction reactions from simple aldehydes and their geminal diol forms

Tags: Abstracción de hidrógeno, Glioxial, Hidratación, Metilglioxal, Química atmosférica

A reinvestigation of the deceptively simple reaction of toluene with OH, and the fate of the benzyl radical: a combined thermodynamic and kinetic study on the competition between OH‑addition and H‑abstraction reactions.

Tags: Fotodegradación, Métodos Funcionales de densidad, Química atmosférica, Radical hidróxilo, Tolueno

Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations

Tags: Oxidación, Química atmosférica, Sulfuro de Dimetilo

Enthalpies of formation of the benzyloxyl, benzylperoxyl, hydroxyphenyl radicals and related species on the potential energy surface for the reaction of toluene with the hydroxyl radical

Tags: Bencilo Radicales, Entalpias de Formación, Química atmosférica, Tolueno, Transformada Discreta de Fourier

Computational chemistry as an analytical tool : thermochemical examples in atmospheric chemistr.

Tags: Computación, Química, Química atmosférica

Density functional investigation of atmospheric sulfur chemistry. I. Enthalpy of formation of HSO and related molecules

Tags: Química atmosférica, Termoquímica

Theoretical investigation of ionized HSO and SOH.

Tags: Química atmosférica

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