Detalhe da pesquisa
1.
Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation.
J Comput Chem
; 44(10): 1040-1051, 2023 Apr 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36576316
2.
Antimelanoma effect of manool in 2D cell cultures and reconstructed human skin models.
J Biochem Mol Toxicol
; 37(3): e23282, 2023 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-36541366
3.
Assessment of the van der Waals, Hubbard U parameter and spin-orbit coupling corrections on the 2D/3D structures from metal gold congeners clusters.
J Comput Chem
; 43(4): 230-243, 2022 Feb 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-34751955
4.
The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters.
Phys Chem Chem Phys
; 24(11): 6515-6524, 2022 Mar 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35257130
5.
Stability Changes in Iridium Nanoclusters via Monoxide Adsorption: A DFT Study within the van der Waals Corrections.
J Phys Chem A
; 125(22): 4805-4818, 2021 Jun 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34048257
6.
In Vivo and in Silico Trypanocidal Activity Evaluation of (-)-Cubebin Encapsulated in PLGA Microspheres as Potential Treatment in Acute Phase.
Chem Biodivers
; 18(6): e2100052, 2021 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-33905595
7.
Green and Red Brazilian Propolis: Antimicrobial Potential and Anti-Virulence against ATCC and Clinically Isolated Multidrug-Resistant Bacteria.
Chem Biodivers
; 18(8): e2100307, 2021 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-34086414
8.
Electrospray ionization tandem mass spectrometry of monoketone curcuminoids.
Rapid Commun Mass Spectrom
; 34 Suppl 3: e8699, 2020 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-31845428
9.
Are DFT Methods Able to Predict Reduction Potentials of Ruthenium Nitrosyl Complexes Accurately?
J Phys Chem A
; 124(30): 6186-6192, 2020 Jul 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-32640791
10.
Exploring Synthetic Dihydrobenzofuran and Benzofuran Neolignans as Antiprotozoal Agents against Trypanosoma cruzi.
Pharmaceutics
; 15(3)2023 Feb 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36986617
11.
EF24, a schistosomicidal curcumin analog: Insights from its synthesis and phenotypic, biochemical and cytotoxic activities.
Chem Biol Interact
; 368: 110191, 2022 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36181831
12.
In vitro and in silico cytotoxicity of hinokinin-loaded PLGA microparticle systems against tumoral SiHa cells.
Nat Prod Res
; 36(18): 4696-4703, 2022 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-34736364
13.
Evaluation of lignan-loaded poly(ε-caprolactone) nanoparticles: synthesis, characterization, in vivo and in silico schistosomicidal activity.
Nat Prod Res
; 36(22): 5872-5878, 2022 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-34963393
14.
The bonding situation in heteromultimetallic carbonyl complexes.
Dalton Trans
; 49(46): 16762-16771, 2020 Dec 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-33166376
15.
CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation.
Dalton Trans
; 49(19): 6407-6417, 2020 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-32352455
16.
A theoretical indicator of transition-metal nanoclusters applied in the carbon nanotube nucleation process: a DFT study.
Dalton Trans
; 49(2): 492-503, 2020 Jan 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31834332
17.
The usefulness of energy decomposition schemes to rationalize host-guest interactions.
Dalton Trans
; 49(48): 17457-17471, 2020 Dec 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33216076
18.
Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight.
J Mol Model
; 25(1): 11, 2019 Jan 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30607601
19.
Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis.
ChemistryOpen
; 6(3): 410-416, 2017 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-28638774
20.
Computational study of the interaction between NO, NO+, and NO- with H2O.
J Mol Model
; 22(11): 276, 2016 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-27783233