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 | 93 | 2007 |

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 | 29 | 2004 |

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 | 24 | 2003 |

Role of (H_{2}O)_{n} (*n* = 2–3) Clusters on the HO_{2} + O_{3} Reaction: A Theoretical StudyLP Viegas, AJC Varandas The Journal of Physical Chemistry B 120 (8), 1560-1568, 2016 | 23 | 2016 |

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 | 21 | 2010 |

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 | 18 | 2010 |

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 | 17 | 2018 |

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 | 16 | 2005 |

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 | 15 | 2012 |

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 | 14 | 2020 |

The HO2+ O3 reaction: Current status and prospective work AJC Varandas, LP Viegas Computational and Theoretical Chemistry 965 (2-3), 291-297, 2011 | 13 | 2011 |

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 | 12 | 2019 |

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 | 12 | 2016 |

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 | 11 | 2020 |

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 | 11 | 2003 |

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 | 9 | 2021 |

Assessment of model chemistries for hydrofluoropolyethers: A DFT/M08‐HX benchmark study LP Viegas International Journal of Quantum Chemistry 117 (15), e25381, 2017 | 9 | 2017 |

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 | 8 | 2021 |

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 | 8 | 2012 |