Följ
Raphael da Silva Alvim
Raphael da Silva Alvim
Chemical Engineering Department, University of São Paulo (USP)
Verifierad e-postadress på usp.br - Startsida
Titel
Citeras av
Citeras av
År
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
572012
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
392016
From single asphaltenes and resins to nanoaggregates: A computational study
FCDA Lima, RS Alvim, CR Miranda
Energy & Fuels 31 (11), 11743-11754, 2017
302017
First principles characterization of silicate sites in clay surfaces
RS Alvim, CR Miranda
Physical Chemistry Chemical Physics 17 (7), 4952-4960, 2015
292015
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
212013
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
162023
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
152018
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
112020
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
112017
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
102020
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
82016
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
72014
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
52022
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
32023
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
22014
Hidrólise de um composto organofosforado tipo-vx pela quimissorção dissociativa na superfície de MgO (001), por cálculos ab initio
RS Alvim
22013
A mechanistic study on conversion of carbon dioxide into formic acid promoted by 1-ethyl-2, 3-dimethyl-imidazolium nitrite
TO Bello, RS Alvim, AE Bresciani, CAO Nascimento, RMB Alves
Journal of Molecular Modeling 30 (7), 231, 2024
12024
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
12024
Material surfaces and interfaces: characterization, molecular adsorption and heterogeneous catalysis by computational simulation
RS Alvim
Revista Virtual de Química 15, 153216-153216, 2022
12022
From Single Asphaltenes and Resins to Nanoaggregates: A Computational Study
LFCD Alves, AR da Silva, MC Rodrigues
12017
Systemet kan inte utföra åtgärden just nu. Försök igen senare.
Artiklar 1–20