Folgen
Raphael da Silva Alvim
Raphael da Silva Alvim
Chemical Engineering Department, University of São Paulo (USP)
Bestätigte E-Mail-Adresse bei usp.br - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
362016
From single asphaltenes and resins to nanoaggregates: A computational study
FCDA Lima, RS Alvim, CR Miranda
Energy & Fuels 31 (11), 11743-11754, 2017
272017
First principles characterization of silicate sites in clay surfaces
RS Alvim, CR Miranda
Physical Chemistry Chemical Physics 17 (7), 4952-4960, 2015
272015
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
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
132018
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
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
102023
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
82020
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
72016
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
42022
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
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
12023
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
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
2024
Selective dissociation of benzoic acid on carbonate surfaces: A density functional theory perspective
FC Dalmatti Alves Lima, RS Alvim, CR Miranda
Applied Surface Science 529, 2020
2020
Das System kann den Vorgang jetzt nicht ausführen. Versuchen Sie es später erneut.
Artikel 1–20