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Luís P. Viegas
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Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+
LP Viegas, A Alijah, AJC Varandas
The Journal of chemical physics 126 (7), 074309, 2007
982007
Accurate double many-body expansion potential energy surface for triplet H3+. II. The upper adiabatic sheet (2 (3) A').
LP Viegas, M Cernei, A Alijah, AJ Varandas
The Journal of chemical physics 120 (1), 253-259, 2004
282004
Role of (H2O)n (n = 2–3) Clusters on the HO2 + O3 Reaction: A Theoretical Study
LP Viegas, AJC Varandas
The Journal of Physical Chemistry B 120 (8), 1560-1568, 2016
272016
Heavy‐Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2‐Formylarylnitrene to a Singlet 2, 1‐Benzisoxazole
CM Nunes, LP Viegas, SA Wood, JPL Roque, RJ McMahon, R Fausto
Angewandte Chemie International Edition 59 (40), 17622-17627, 2020
262020
Exploring the Reactivity of Hydrofluoropolyethers toward OH through a Cost-Effective Protocol for Calculating Multiconformer Transition State Theory Rate Constants
LP Viegas
The Journal of Physical Chemistry A 122 (50), 9721-9732, 2018
232018
Coupled‐cluster reaction barriers of HO2+ H2O+ O3: An application of the coupled‐cluster//Kohn–Sham density functional theory model chemistry
LP Viegas, AJC Varandas
Journal of computational chemistry 35 (7), 507-517, 2014
23*2014
Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect
AJC Varandas, LP Viegas
Chemical physics letters 367 (5-6), 625-632, 2003
222003
How Well Can Kohn− Sham DFT Describe the HO2+ O3 Reaction?
LP Viegas, A Branco, AJC Varandas
Journal of Chemical Theory and Computation 6 (9), 2751-2761, 2010
212010
HO2+ O3 Reaction: Ab Initio Study and Implications in Atmospheric Chemistry
LP Viegas, AJC Varandas
Journal of Chemical Theory and Computation 6 (2), 412-420, 2010
212010
Switching on H-Tunneling through Conformational Control
JPL Roque, CM Nunes, LP Viegas, NAM Pereira, TMVD Pinho e Melo, ...
Journal of the American Chemical Society 143 (22), 8266-8271, 2021
192021
Reliability of semiempirical and DFTB methods for the global optimization of the structures of nanoclusters
BRL Galvao, LP Viegas, DR Salahub, MP Lourenço
Journal of Molecular Modeling 26, 1-8, 2020
182020
Can water be a catalyst on the HO 2+ H 2 O+ O 3 reactive cluster?
LP Viegas, AJC Varandas
Chemical Physics 399, 17-22, 2012
182012
Simplified Protocol for the Calculation of Multiconformer Transition State Theory Rate Constants Applied to Tropospheric OH-Initiated Oxidation Reactions
LP Viegas
The Journal of Physical Chemistry A 125 (21), 4499-4512, 2021
172021
What Electronic Structure Method Can Be Used in the Global Optimization of Nanoclusters?
BRL Galvão, LP Viegas
The Journal of Physical Chemistry A 123 (48), 10454-10462, 2019
172019
Symmetry Analysis of the Vibronic States in the Upper Conical Potential (23A') of Triplet
LP Viegas, A Alijah, AJC Varandas
The Journal of Physical Chemistry A 109 (15), 3307-3310, 2005
152005
The HO2+(H2O) n+ O3 reaction: an overview and recent developments
LP Viegas, AJC Varandas
The European Physical Journal D 70 (3), 1-9, 2016
142016
The HO2+ O3 reaction: Current status and prospective work
AJC Varandas, LP Viegas
Computational and Theoretical Chemistry 965 (2-3), 291-297, 2011
132011
Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1, 3-diyl
LP Viegas, CM Nunes, R Fausto
Physical Chemistry Chemical Physics 23 (10), 5797-5803, 2021
112021
Glucuronidation of methylated quercetin derivatives: chemical and biochemical approaches
ML Docampo-Palacios, A Alvarez-Hernández, O Adiji, D Gamiotea-Turro, ...
Journal of agricultural and food chemistry 68 (50), 14790-14807, 2020
112020
Ro-vibrational states of triplet H 3+(a 3 Σ u+): the lowest 19 bands
A Alijah, LP Viegas, M Cernei, AJC Varandas
Journal of molecular spectroscopy 221 (2), 163-173, 2003
112003
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Articles 1–20