Publications by authors named "Daniela Trogolo"

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Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations.
Daniela Trogolo, J Samuel Arey, Peter R Tentscher

J Phys Chem A· January 2019

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Formation and reactivity of inorganic and organic chloramines and bromamines during oxidative water treatment.
Michèle B Heeb, Ina Kristiana, Daniela Trogolo, J Samuel Arey, Urs von Gunten

Water Res· March 2017

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Equilibria and Speciation of Chloramines, Bromamines, and Bromochloramines in Water.
Daniela Trogolo, J Samuel Arey

Environ Sci Technol· January 2017

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Correction: Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation.
Daniela Trogolo, J Samuel Arey

Phys Chem Chem Phys· November 2016

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Molecular mechanism of NDMA formation from N,N-dimethylsulfamide during ozonation: quantum chemical insights into a bromide-catalyzed pathway.
Daniela Trogolo, Brijesh Kumar Mishra, Michèle B Heeb, Urs von Gunten, J Samuel Arey

Environ Sci Technol· April 2015

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Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation.
Daniela Trogolo, J Samuel Arey

Phys Chem Chem Phys· February 2015

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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.
Daniela Trogolo, Andrea Maranzana, Giovanni Ghigo, Glauco Tonachini

J Phys Chem A· January 2014

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