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Roberta Pereira Dias
Observed names:
ROBERTA P. DIAS,
Roberta Dias,
Roberta P. Dias
Institution:
Universidade Federal de Alagoas
Observed institutions:
Universidade Federal de Minas Gerais,
Universidade Federal de Pernambuco,
Universidade Federal de Alagoas
ORCID:
0000-0002-9473-7323
Observed ORCID:
0000-0002-9473-7323
OpenAlex ID:
A5043280149
Pyridine-derived thiosemicarbazones and their tin(IV) complexes with antifungal activity against Candida spp.
2011
·
Gabrieli L. Parrilha
, Jeferson G. da Silva
, et al.
·
European Journal of Medicinal Chemistry
·
82
2-Acetylpyridine- and 2-benzoylpyridine-derived thiosemicarbazones and their antimony(III) complexes exhibit high anti-trypanosomal activity
2011
·
Gabrieli L. Parrilha
, Roberta P. Dias
, et al.
·
Polyhedron
·
46
Molecular Dynamics Simulations of Cetyltrimethylammonium Bromide (CTAB) Micelles and their Interactions with a Gold Surface in Aqueous Solution
2017
·
José da Silva
, Roberta Dias
, et al.
·
Journal of the Brazilian Chemical Society
·
37
PDF
Outer Membrane Remodeling: The Structural Dynamics and Electrostatics of Rough Lipopolysaccharide Chemotypes
2014
·
Roberta P. Dias
, Gabriel C. A. da Hora
, et al.
·
Journal of Chemical Theory and Computation
·
31
DFT Study of the Homogeneous Hydroformylation of Propene Promoted by a Heterobimetallic Pt–Sn Catalyst
2011
·
Roberta P. Dias
, Willian R. Rocha
·
Organometallics
·
27
A “turn-off” fluorescent sensor based on electrospun polycaprolactone nanofibers and fluorene(bisthiophene) derivative for nitroaromatic explosive detection
2021
·
Anna Paula L.A. Santos
, Gerard O. Deokaran
, et al.
·
Forensic Science International
·
26
Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi
2014
·
Roberta P. Dias
, Lin Li
, et al.
·
Journal of Computational Chemistry
·
20
DFT study of the full catalytic cycle for the propene hydroformylation catalyzed by a heterobimetallic HPt(SnCl3)(PH3)2 model catalyst
2010
·
Júlio C. S. da Silva
, Roberta P. Dias
, et al.
·
Journal of Computational Chemistry
·
16
Propene Hydroformylation Reaction Catalyzed by HRh(CO)(BISBI): A Thermodynamic and Kinetic Analysis of the Full Catalytic Cycle
2020
·
Daniel H. Cruz Neto
, Artur A. M. Dos Santos
, et al.
·
European Journal of Inorganic Chemistry
·
13
PDF
DFT study of the ligand effects on the regioselectivity of the insertion reaction of olefins in the complexes [HRh(CO)2(PR3)(L)] (R = H, F, Et, Ph, OEt, OPh, and L = propene, styrene)
2010
·
Roberta P. Dias
, Mauro S. L. Prates
, et al.
·
International Journal of Quantum Chemistry
·
13
Insertion reaction of ethylene into the Rh–H bond: A comparative theoretical study
2007
·
Valber D. Silva
, Roberta P. Dias
, et al.
·
Chemical Physics Letters
·
13
Exploring Trans Effect Concept in Pt(II) Complexes through the Quantum Theory of Atoms in Molecules and Chemical Bond Overlap Model Perspectives
2024
·
Carlos V. Santos‐Jr
, Gabriela M. B. Da Silva
, et al.
·
Advanced Theory and Simulations
·
9
An Evaluation of Quantum Chemical Calculations of Reaction Energies for Catalytic Activation Processes: the Activation of Propane by a Rhodium Catalyst Revisited
2012
·
WILLIAN R. ROCHA
, ÉDER S. XAVIER
, et al.
·
Journal of Theoretical and Computational Chemistry
·
6
Impurity absorption sites and parity effects: A deviation from Simmons's model in methylene bridges with an even number of carbons and its consequences in the conductance
2023
·
Augusto C.L. Moreira
, Júlio C.S. Da Silva
, et al.
·
Computational and Theoretical Chemistry
·
5
Insertion and carbonylation reactions of styrene promoted by [HRh(CO)x‐ (PMe3)3−x] (x = 1, 2) compounds: A theoretical investigation
2008
·
Roberta P. Dias
, Willian R. Rocha
·
International Journal of Quantum Chemistry
·
4
Aharonov-Bohm effect in a biphenyl system: relations between torsion angle, magnetic flux and electrical current
2025
·
A.C.L. Moreira
, J.V. Nascimento
, et al.
·
Physica B Condensed Matter
·
2
Exploring Trans Effect Concept in Pt(II) Complexes through the Quantum Theory of Atoms in Molecules and Chemical Bond Overlap Model Perspectives (Adv. Theory Simul. 5/2024)
2024
·
Carlos V. Santos‐Jr
, Gabriela M. B. Da Silva
, et al.
·
Advanced Theory and Simulations
·
1
PDF
Refining details of the structural and electronic properties of the Cu B site in pMMO enzyme through sequential molecular dynamics/CPKS-EPR calculations
2022
·
William Daniel B. Da Silva
, Roberta P. Dias
, et al.
·
Physical Chemistry Chemical Physics
·
1
Mechanistic elucidation of the uncatalyzed allylation of carbonyl compounds: a combined DFT and nudged elastic band study
2026
·
William D. A. B. Da Silva
, Juliana A. B. Da Silva
, et al.
·
Journal of Molecular Modeling
PDF
DFT-guided Lennard–Jones parametrization for accurate $$\text {CO}_{2}$$, $$\text {N}_{2}$$, and $$\text {CH}_{4}$$ adsorption in MoOFOUR-1-Ni
2026
·
Herick Ribeiro Torres
, Roberta Pereira Dias
, et al.
·
Journal of Molecular Modeling
PDF
Exploring thermoelectric conduction in new graphene-based molecular junctions dispositive: A computational perspective
2025
·
Jonathan A. Da Silva
, Jonathan A. Da Silva
, et al.
·
Computational and Theoretical Chemistry
Simulação Computacionalno Ensino De Química: O Uso Do Programa Avogadro®como Ferramenta Auxiliarno Ensino De Ligações Químicas
2020
·
José Renan da Silva
, Roberta Pereira Dias
, et al.
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Works count:
22
Citation count:
352
H-index:
11
I10-index:
11
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