How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment? by Aoto, Yuri A, de Lima Batista, Ana Paula, Köhn, Andreas, de Oliveira-Filho, Antonio G. S

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Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2Σ+) by H2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Energy Matrix by Han, Shanyu, Oliveira‐Filho, Antonio G. S., Shu, Yinan, Truhlar, Donald G., Guo, Hua

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Protocol for optically pumping AlH to a pure quantum state by Huang, Panpan, Kain, Schuyler, de Oliveira-Filho, Antonio G. S, Odom, Brian C

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Precisely spun super rotors by Antonov, Ivan O., Stollenwerk, Patrick R., Venkataramanababu, Sruthi, de Lima Batista, Ana P., de Oliveira-Filho, Antonio G. S., Odom, Brian C.

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Energy Disposal and Thermal Rate Constants for the OH + HBr and OH + DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface by de Oliveira-Filho, Antonio G. S, Ornellas, Fernando R, Bowman, Joel M

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Homogeneous Catalytic CO2 Hydrogenation by [Fe]-Hydrogenase Bioinspired Complexes: A Computational Study by Ramos, Vania M, de Oliveira-Filho, Antonio G. S, de Lima Batista, Ana Paula

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Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach by de Lima Batista, Ana P, de Oliveira-Filho, Antonio G S, Galembeck, Sérgio E

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Computational mechanistic investigation of the Fe + CO2 → FeO + CO reaction by Dias Vicentini, Eduardo, de Lima Batista, Ana P, Sampaio de Oliveira-Filho, Antonio G

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Formation of the non-classical interhalide anion [ICl] in methyl-bambus[6]uril cavity by Cicolani, Renato S, de Oliveira-Filho, Antonio G. S, de Batista, Ana Paula, Demets, Grégoire Jean-François

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Unveiling the potential of scandium complexes for methane C–H bond activation: a computational study by de Lima Batista, Ana Paula, S. de Oliveira-Filho, Antonio G., Braga, Ataualpa A. C.

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Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Ran... by de Oliveira-Filho, Antonio G. S, Ornellas, Fernando R, Bowman, Joel M

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Gene expression profiling of childhood adrenocortical tumors by NICO WEST, Alina, NEALE, Geoffrey A, ZAMBETTI, Gerard P, POUNDS, Stanley, FIGUEREDO, Bonald C, RODRIGUEZ GALINDO, Carlos, PIANOVSKI, Mara Albonei D, OLIVEIRA FILHO, Antonio G, MALKIN, David, LALLI, Enzo, RIBEIRO, Raul

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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 meth... by Torquato, Lilian D. Moura, Pastrian, Fabián A.C., Perini, João A. Lima, Irikura, Kallyni, de L. Batista, Ana Paula, de Oliveira-Filho, Antonio G.S., Córdoba de Torresi, Susana I., Zanoni, Maria V. Boldrin

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Thermal Rate Constants for the O(3P) + HBr and O(3P) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations by de Oliveira-Filho, Antonio G. S, Ornellas, Fernando R, Peterson, Kirk A, Mielke, Steven L

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Evolution of critically ill patients with gastroschisis from three tertiary centers by Tannuri, Ana Cristina A, Sbragia, Lourenço, Tannuri, Uenis, Silva, Luanna M, Leal, Antonio José G, Schmidt, Augusto Frederico S, Oliveira-Filho, Antonio G, Bustorff-Silva, Joaquim Murray, Vicente, Yvone A M V A, Tazima, Maria de Fátima G S, Pileggi, Flávio O, Camperoni, Alexandra L

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The surprising metastability of TeH2 by de Oliveira-Filho, Antonio G S, Ornellas, Fernando R

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Homogeneous Catalytic CO 2 Hydrogenation by [Fe]-Hydrogenase Bioinspired Complexes: A Computational Study by Ramos, Vania M, de Oliveira-Filho, Antonio G S, de Lima Batista, Ana Paula

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Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2 Σ + ) by H 2 Based on an Improved Full-Dimensional Ab Initio Diabatic Potential Energy Matrix by Han, Shanyu, de Oliveira-Filho, Antonio G S, Shu, Yinan, Truhlar, Donald G, Guo, Hua

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Canonical Unified Statistical Rate Constants Using a High-Level Composite Coupled Cluster Energy Scheme for the CH4 + CH Reaction by Leite Júnior, Jonas, Rocha, Carlos, de Oliveira-Filho, Antonio

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Cerium oxide-sulfur nanohybrids: Combining the robust adsorption of polysulfides with enhanced redox kinetics to improve the energy Storage capabilities of Li-S batteries by Chauque, Susana, da Silva, Anderson G.M., Batista, Ana P. de Lima, de Oliveira-Filho, Antonio G.S., Braga, Adriano H., Torresi, Roberto M.

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