| How to arrive at accurate benchmark values for transition metal compounds: computation or experiment? YA Aoto, AP de Lima Batista, A Köhn, AGS de Oliveira-Filho Journal of chemical theory and computation 13 (11), 5291-5316, 2017 | 124 | 2017 |
| Why Could the Nature of Surface Facets Lead to Differences in the Activity and Stability of Cu2O-Based Electrocatalytic Sensors? FAC Pastrián, AGM da Silva, AHB Dourado, AP de Lima Batista, ... ACS Catalysis 8 (7), 6265-6272, 2018 | 59 | 2018 |
| Relation between the nature of the surface facets and the reactivity of Cu2O nanostructures anchored on TiO2NT@ PDA electrodes in the photoelectrocatalytic conversion of CO2 to … LDM Torquato, FAC Pastrian, JAL Perini, K Irikura, APL Batista, ... Applied Catalysis B: Environmental 261, 118221, 2020 | 57 | 2020 |
| Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over … AGS de Oliveira-Filho, FR Ornellas, JM Bowman The journal of physical chemistry letters 5 (4), 706-712, 2014 | 40 | 2014 |
| In situ FTIR insights into the electrooxidation mechanism of glucose as a function of the surface facets of Cu2O-based electrocatalytic sensors AHB Dourado, AGM da Silva, FAC Pastrián, RL Munhos, ... Journal of catalysis 375, 95-103, 2019 | 37 | 2019 |
| Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach AP de Lima Batista, AGS de Oliveira-Filho, SE Galembeck Physical Chemistry Chemical Physics 19 (21), 13860-13867, 2017 | 35 | 2017 |
| l-Cysteine electrooxidation in alkaline and acidic media: a combined spectroelectrochemical and computational study AHB Dourado, AP de Lima Batista, AGS Oliveira-Filho, PTA Sumodjo, ... RSC advances 7 (13), 7492-7501, 2017 | 30 | 2017 |
| Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen Y Shu, J Kryven, AG Sampaio de Oliveira-Filho, L Zhang, GL Song, SL Li, ... The Journal of Chemical Physics 151 (10), 2019 | 29 | 2019 |
| Permutationally Restrained Diabatization by Machine Intelligence Y Shu, Z Varga, AG Sampaio de Oliveira-Filho, DG Truhlar Journal of Chemical Theory and Computation 17 (2), 1106-1116, 2021 | 25 | 2021 |
| Energy disposal and thermal rate constants for the OH+ HBr and OH+ DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface AGS de Oliveira-Filho, FR Ornellas, JM Bowman The Journal of Physical Chemistry A 118 (51), 12080-12088, 2014 | 20 | 2014 |
| Optical Pumping of TeH+: Implications for the Search for Varying mp/me PR Stollenwerk, MG Kokish, AGS de Oliveira-Filho, FR Ornellas, ... Atoms 6 (3), 53, 2018 | 19 | 2018 |
| Excited electronic states, transition probabilities, and radiative lifetimes of CAs: A theoretical contribution and challenge to experimentalists AP de Lima Batista, AG Sampaio de Oliveira-Filho, FR Ornellas The Journal of Physical Chemistry A 115 (30), 8399-8405, 2011 | 16 | 2011 |
| Computationally Designed 1,2,4-Triazolylidene-Derived N-Heterocyclic Olefins for CO2 Capture, Activation, and Storage AP de Lima Batista, AGS de Oliveira-Filho, SE Galembeck ACS omega 2 (1), 299-307, 2017 | 14 | 2017 |
| Electronic structure and spectra of a new molecular species: SI. A theoretical contribution AGS de Oliveira Filho, FR Ornellas Chemical Physics Letters 510 (1-3), 31-35, 2011 | 12 | 2011 |
| The importance of the shape of Cu2O nanocrystals on plasmon-enhanced oxygen evolution reaction in alkaline media TN Saada, L Pang, KS Kumar, AHB Dourado, LD Germano, ED Vicentini, ... Electrochimica Acta 390, 138810, 2021 | 11 | 2021 |
| Cerium oxide-sulfur nanohybrids: Combining the robust adsorption of polysulfides with enhanced redox kinetics to improve the energy Storage capabilities of Li-S batteries S Chauque, AGM da Silva, AP de Lima Batista, AGS de Oliveira-Filho, ... Electrochimica Acta 382, 138284, 2021 | 11 | 2021 |
| Precisely spun super rotors IO Antonov, PR Stollenwerk, S Venkataramanababu, AP de Lima Batista, ... Nature Communications 12 (1), 1-8, 2021 | 11 | 2021 |
| CO2 Sequestration by Triazolylidene‐Derived N‐Heterocyclic Olefins: A Computational Study AP de Lima Batista, AGS de Oliveira‐Filho, SE Galembeck ChemistrySelect 2 (17), 4648-4654, 2017 | 11 | 2017 |
| New Molecular Species of Potential Interest to Atmospheric Chemistry: Isomers on the [H, S2, Br] Potential Energy Surface AGS de Oliveira-Filho, YA Aoto, FR Ornellas The Journal of Physical Chemistry A 113 (7), 1397-1402, 2009 | 11 | 2009 |
| The reaction of methyl radical with nitrogen atom on the triplet potential energy surface: A CCSD (T)/CBS characterization TV Alves, AGS de Oliveira Filho, FR Ornellas Chemical Physics Letters 457 (1-3), 36-41, 2008 | 11 | 2008 |
Ana Paula de Lima BatistaProfessora Adjunta I, Departamento de Química, UFSCar在 ufscar.br 的电子邮件经过验证
