Simplified Protocol for the Calculation of Multiconformer Transition State Theory Rate Constants Applied to Tropospheric OH-Initiated Oxidation Reactions
Viegas, Luís P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.06.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.06.2021)
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Journal Article
Exploring the Reactivity of Hydrofluoropolyethers toward OH through a Cost-Effective Protocol for Calculating Multiconformer Transition State Theory Rate Constants
Viegas, Luís P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.12.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.12.2018)
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Journal Article
Glucuronidation of Methylated Quercetin Derivatives: Chemical and Biochemical Approaches
Docampo-Palacios, Maite L, Alvarez-Hernández, Anislay, Adiji, Olubu, Gamiotea-Turro, Daylin, Valerino-Diaz, Alexander B, Viegas, Luís P, Ndukwe, Ikenna E, de Fátima, Ângelo, Heiss, Christian, Azadi, Parastoo, Pasinetti, Giulio M, Dixon, Richard A
Published in Journal of agricultural and food chemistry (16.12.2020)
Published in Journal of agricultural and food chemistry (16.12.2020)
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Journal Article
Inducing molecular reactions by selective vibrational excitation of a remote antenna with near-infrared light
Nunes, Cláudio, Pereira, Nelson A. M, Viegas, Luís P, Pinho e Melo, Teresa M. V. D, Fausto, Rui
Published in Chemical communications (Cambridge, England) (21.09.2021)
Published in Chemical communications (Cambridge, England) (21.09.2021)
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Journal Article
HO2 + O3 Reaction: Ab Initio Study and Implications in Atmospheric Chemistry
Viegas, Luís P, Varandas, António J. C
Published in Journal of chemical theory and computation (09.02.2010)
Published in Journal of chemical theory and computation (09.02.2010)
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Journal Article
How Well Can Kohn−Sham DFT Describe the HO2 + O3 Reaction?
Viegas, Luís P, Branco, Adriana, Varandas, António J. C
Published in Journal of chemical theory and computation (14.09.2010)
Published in Journal of chemical theory and computation (14.09.2010)
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Journal Article
Role of (H2O) n (n = 2–3) Clusters on the HO2 + O3 Reaction: A Theoretical Study
Viegas, Luís P, Varandas, António J. C
Published in The journal of physical chemistry. B (03.03.2016)
Published in The journal of physical chemistry. B (03.03.2016)
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Journal Article
Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1,3-diyl
Viegas, Luís P, Nunes, Cláudio, Fausto, Rui
Published in Physical chemistry chemical physics : PCCP (18.03.2021)
Published in Physical chemistry chemical physics : PCCP (18.03.2021)
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Journal Article
Heavy‐Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2‐Formylarylnitrene to a Singlet 2,1‐Benzisoxazole
Nunes, Cláudio M., Viegas, Luís P., Wood, Samuel A., Roque, José P. L., McMahon, Robert J., Fausto, Rui
Published in Angewandte Chemie International Edition (28.09.2020)
Published in Angewandte Chemie International Edition (28.09.2020)
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