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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
932007
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
292004
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
242003
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
232016
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
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
18*2014
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
182010
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
172018
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
162005
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
152012
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
142020
The HO2+ O3 reaction: Current status and prospective work
AJC Varandas, LP Viegas
Computational and Theoretical Chemistry 965 (2-3), 291-297, 2011
132011
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
122019
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
122016
Reliability of semiempirical and DFTB methods for the global optimization of the structures of nanoclusters
BRL Galvão, LP Viegas, DR Salahub, MP Lourenço
Journal of Molecular Modeling 26 (11), 1-8, 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
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
92021
Assessment of model chemistries for hydrofluoropolyethers: A DFT/M08‐HX benchmark study
LP Viegas
International Journal of Quantum Chemistry 117 (15), e25381, 2017
92017
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
82021
A detailed test study of barrier heights for the HO2+ H2O+ O3 reaction with various forms of multireference perturbation theory
LP Viegas, AJC Varandas
The Journal of chemical physics 136 (11), 114312, 2012
82012
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Articles 1–20