| The valence-excited states and of acetylene: A high-level MR-CISD and MR-AQCC investigation of stationary points, potential energy surfaces, and … E Ventura, M Dallos, H Lischka The Journal of chemical physics 118 (4), 1702-1713, 2003 | 60 | 2003 |
| Topological twistons in crystalline polyethylene. D Bazeia, E Ventura Chemical Physics Letters 303, 341-346, 1999 | 53 | 1999 |
| The Diels–Alder Reaction of Ethene and 1, 3‐Butadiene: An Extended Multireference ab initio Investigation H Lischka, E Ventura, M Dallos ChemPhysChem 5 (9), 1365-1371, 2004 | 52 | 2004 |
| Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO … M Dallos, H Lischka, E Ventura Do Monte, M Hirsch, W Quapp Journal of computational chemistry 23 (5), 576-583, 2002 | 48 | 2002 |
| The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry H Lischka, R Shepard, T Müller, PG Szalay, RM Pitzer, AJA Aquino, ... The journal of chemical physics 152 (13), 2020 | 47 | 2020 |
| Synthesis and conformational study of a new class of highly bioactive compounds E Ventura, SA do Monte, BG Oliveira, CGL Junior, GB Rocha, ... Chemical Physics Letters 449 (4-6), 336-340, 2007 | 38 | 2007 |
| Theoretical study of cooperative effects in the homo‐ and heteromeric hydrogen bond chains (HCN)nHF with n = 1, 2, and 3 RCMU Araújo, VM Soares, BG Oliveira, KC Lopes, E Ventura, ... International journal of quantum chemistry 106 (13), 2714-2722, 2006 | 34 | 2006 |
| Photochemistry of CH3Cl: Dissociation and CH···Cl Hydrogen Bond Formation VC De Medeiros, RB De Andrade, EFV Leitão, E Ventura, GF Bauerfeldt, ... Journal of the American Chemical Society 138 (1), 272-280, 2016 | 32 | 2016 |
| Exact Topological Twistons In Crystalline Polyethylene E Ventura, AM Simas, D Bazeia Chemical Physics Letters 320, 587-593, 2000 | 32 | 2000 |
| Diastereoselective epoxidation of allylic diols derived from Baylis-Hillman adducts RS Porto, MLAA Vasconcellos, E Ventura, F Coelho Synthesis 2005 (14), 2297-2306, 2005 | 28 | 2005 |
| Cope rearrangement of 1, 5-hexadiene: Full geometry optimizations using analytic MR-CISD and MR-AQCC gradient methods E Ventura, S Andrade do Monte, M Dallos, H Lischka The Journal of Physical Chemistry A 107 (8), 1175-1180, 2003 | 26 | 2003 |
| Challenges encountered during development of Mn porphyrin-based, potent redox-active drug and superoxide dismutase mimic, MnTnBuOE-2-PyP5+, and its alkoxyalkyl analogues Z Rajic, A Tovmasyan, OL de Santana, IN Peixoto, I Spasojevic, ... Journal of Inorganic Biochemistry 169, 50-60, 2017 | 25 | 2017 |
| An ab initio study of the C2H2HF, C2H (CH3) HF and C2 (CH3) 2HF hydrogen-bonded complexes MN Ramos, KC Lopes, WLV Silva, AM Tavares, FA Castriani, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 63 (2 …, 2006 | 24 | 2006 |
| Revisiting the stationary points on the potential energy surface of tetramethylene at the MR-AQCC level using analytic gradients E Ventura, M Dallos, H Lischka The Journal of chemical physics 118 (24), 10963-10972, 2003 | 21 | 2003 |
| Photochemical Deactivation Process of HCFC-133a (C2H2F3Cl): A Nonadiabatic Dynamics Study G Pereira Rodrigues, E Ventura, SA do Monte, M Barbatti The Journal of Physical Chemistry A 118 (51), 12041-12049, 2014 | 20 | 2014 |
| Revisiting the concept of the (a) synchronicity of diels‐alder reactions based on the dynamics of quasiclassical trajectories MAF de Souza, E Ventura, SA do Monte, JM Riveros, RL Longo Journal of Computational Chemistry 37 (8), 701-711, 2016 | 19 | 2016 |
| Dissociation of ground and nσ* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster … JR Lucena, E Ventura, SA do Monte, RCMU Araújo, MN Ramos, R Fausto The Journal of chemical physics 127 (16), 2007 | 19 | 2007 |
| Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states G Braun, I Borges, AJA Aquino, H Lischka, F Plasser, SA Do Monte, ... The Journal of Chemical Physics 157 (15), 2022 | 17 | 2022 |
| O ensino de reações orgânicas usando química computacional: I. Reações de adição eletrofílica a alquenos A Mariano, E Ventura, SA Monte, CF Braga, AB Carvalho, RCMU Araújo, ... Química Nova 31, 1243-1249, 2008 | 16 | 2008 |
| A theoretical prediction of stability in hydrogen-bonded complexes formed between oxirane and oxetane rings with HX (X= F and Cl) FC Ferreira, BG Oliveira, E Ventura, SA Do Monte, CF Braga, R Araújo, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 64 (1 …, 2006 | 15 | 2006 |
