| Density-functional theory simulation of the dissociative chemisorption of water molecules on the MgO (001) surface RS Alvim, I Borges Jr, DG Costa, AA Leitao The Journal of Physical Chemistry C 116 (1), 738-744, 2012 | 57 | 2012 |
| Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations RS Alvim, FCDA Lima, VM Sánchez, TF Headen, ES Boek, CR Miranda RSC advances 6 (97), 95328-95336, 2016 | 38 | 2016 |
| From single asphaltenes and resins to nanoaggregates: A computational study FCDA Lima, RS Alvim, CR Miranda Energy & Fuels 31 (11), 11743-11754, 2017 | 29 | 2017 |
| First principles characterization of silicate sites in clay surfaces RS Alvim, CR Miranda Physical Chemistry Chemical Physics 17 (7), 4952-4960, 2015 | 26 | 2015 |
| Hydrolysis of a VX-like organophosphorus compound through dissociative chemisorption on the MgO (001) surface RS Alvim, VS Vaiss, AA Leitao, I Borges Jr The Journal of Physical Chemistry C 117 (40), 20791-20801, 2013 | 21 | 2013 |
| Proton migration on perfect, vacant, and doped MgO (001) surfaces: role of dissociation residual groups R da Silva Alvim, I Borges Jr, AA Leitão The Journal of Physical Chemistry C 122 (38), 21841-21853, 2018 | 14 | 2018 |
| The role of copper crystallization and segregation toward enhanced methanol synthesis via CO2 hydrogenation over CuZrO2 catalysts: A combined experimental and computational study FCF Marcos, RS Alvim, L Lin, LE Betancourt, DD Petrolini, ... Chemical Engineering Journal 452, 139519, 2023 | 13 | 2023 |
| Selective dissociation of benzoic acid on carbonate surfaces: A density functional theory perspective FCDA Lima, R da Silva Alvim, CR Miranda Applied Surface Science 529, 147103, 2020 | 11 | 2020 |
| Nanoscience applied to oil recovery and mitigation: a multiscale computational approach RS Alvim, OA Babilonia, YM Celaschi, CR Miranda Mrs Advances 2 (9), 477-482, 2017 | 11 | 2017 |
| Iron and oxygen vacancies at the hematite surface: pristine case and with a chlorine adatom R da Silva Alvim, FN Ribeiro, GM Dalpian Physical Chemistry Chemical Physics 22 (43), 25380-25389, 2020 | 8 | 2020 |
| Noncontact AFM first-principles simulations of functionalized silicon tips on the montmorillonite (001) surface RS Alvim, CR Miranda The Journal of Physical Chemistry C 120 (25), 13503-13513, 2016 | 8 | 2016 |
| Theoretical chemistry at the service of the chemical defense: Degradation of nerve agents in magnesium oxide and hydroxide surface RS Alvim, VS Vaiss, AA Leitão, I Borges Rev. Virtual Quim 6, 687-723, 2014 | 7 | 2014 |
| First-principles calculations of carboxylic acid adsorption on carbonate surfaces: Chain size and aqueous interface effects R da Silva Alvim, CR Miranda Applied Surface Science 592, 153216, 2022 | 5 | 2022 |
| A química teórica a serviço da defesa química: degradação de agentes neurotóxicos em superfícies de óxido e hidróxido de magnésio RS Alvim, VS Vaiss, AA Leitão, IB Júnior Revista Virtual de Química 6 (3), 687-723, 2014 | 2 | 2014 |
| Hidrólise de um composto organofosforado tipo-vx pela quimissorção dissociativa na superfície de MgO (001), por cálculos ab initio RS Alvim | 2 | 2013 |
| Formic acid stability in different solvents by DFT calculations R da Silva Alvim, A Esio Bresciani, RMB Alves Journal of Molecular Modeling 30 (3), 67, 2024 | 1 | 2024 |
| CO adsorption on MgO thin-films: formation and interaction of surface charged defects R da Silva Alvim, I Borges Jr, RMB Alves, RB Capaz, AA Leitão Physical Chemistry Chemical Physics 25 (42), 28982-28997, 2023 | 1 | 2023 |
| Material surfaces and interfaces: characterization, molecular adsorption and heterogeneous catalysis by computational simulation RS Alvim Revista Virtual de Química 15, 153216-153216, 2022 | 1 | 2022 |
| From Single Asphaltenes and Resins to Nanoaggregates: A Computational Study LFCD Alves, AR da Silva, MC Rodrigues | 1 | 2017 |
| Estudo da desativação do agente VX usando o MgO por cálculos ab initio RS Alvim | 1 | 2009 |
Caetano R MirandaUniversidade de São Paulo在 if.usp.br 的电子邮件经过验证
