Detalhe da pesquisa
1.
Refining DIIS algorithms for Si and GaAs solar cells: incorporation of weight regularization, conjugate gradient, and reverse automatic differentiation techniques.
Phys Chem Chem Phys
; 26(16): 12717-12724, 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38606481
2.
A click chemistry approach to pleuromutilin derivatives, evaluation of anti-MRSA activity and elucidation of binding mode by surface plasmon resonance and molecular docking.
J Enzyme Inhib Med Chem
; 36(1): 2087-2103, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34823417
3.
Pb dimerization greatly accelerates charge losses in MAPbI3: Time-domain ab initio analysis.
J Chem Phys
; 152(6): 064707, 2020 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32061240
4.
Antibacterial Activity and Pharmacokinetic Profile of a Promising Antibacterial Agent: 22-(2-Amino-phenylsulfanyl)-22-Deoxypleuromutilin.
Molecules
; 25(4)2020 Feb 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-32079232
5.
Exciton Dissociation and Suppressed Charge Recombination at 2D Perovskite Edges: Key Roles of Unsaturated Halide Bonds and Thermal Disorder.
J Am Chem Soc
; 141(39): 15557-15566, 2019 Oct 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31525977
6.
Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis.
Nano Lett
; 18(4): 2459-2466, 2018 04 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-29533630
7.
Interplay between Localized and Free Charge Carriers Can Explain Hot Fluorescence in the CH3NH3PbBr3 Perovskite: Time-Domain Ab Initio Analysis.
J Am Chem Soc
; 139(48): 17327-17333, 2017 12 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29117679
8.
Correction for Rapid Decoherence Suppresses Charge Recombination in Multilayer 2D Halide Perovskites: Time-Domain Ab Initio Analysis.
Nano Lett
; 18(5): 3312, 2018 05 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29652159
9.
Facile preparation of high-efficiency peroxidase mimics: modulation of the catalytic microenvironment of LDH nanozymes through defect engineering induced by amino acid intercalation.
Chem Sci
; 15(16): 6002-6011, 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38665520
10.
Automated Graph Neural Networks Accelerate the Screening of Optoelectronic Properties of Metal-Organic Frameworks.
J Phys Chem Lett
; 14(5): 1239-1245, 2023 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36716343
11.
Metal Halide Perovskite Nanotubes for High-Performance Solar Cells with Ab Initio Analysis.
J Phys Chem Lett
; 14(22): 5155-5162, 2023 Jun 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37252819
12.
Charge Recombination Dynamics in a Metal Halide Perovskite Simulated by Nonadiabatic Molecular Dynamics Combined with Machine Learning.
J Phys Chem Lett
; 13(46): 10734-10740, 2022 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36368006
13.
Diversity-oriented synthesis of fluoroalkylated amines via the palladium-catalyzed divergent fluoroalkylamination of 1,3-dienes.
Chem Commun (Camb)
; 58(37): 5614-5617, 2022 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35438113
14.
Semisynthetic pleuromutilin antimicrobials with therapeutic potential against methicillin-resistant Staphylococcus aureus by targeting 50S ribosomal subunit.
Eur J Med Chem
; 237: 114341, 2022 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35430480
15.
Doping-Induced Charge Localization Suppresses Electron-Hole Recombination in Copper Zinc Tin Sulfide: Quantum Dynamics Combined with Deep Neural Networks Analysis.
J Phys Chem Lett
; 12(2): 835-842, 2021 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33417761
16.
Ferroelastic domains drive charge separation and suppress electron-hole recombination in all-inorganic halide perovskites: time-domain ab initio analysis.
Nanoscale Horiz
; 5(4): 683-690, 2020 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32226964
17.
Design of a Z-scheme g-C3N4/CQDs/CdIn2S4 composite for efficient visible-light-driven photocatalytic degradation of ibuprofen.
Environ Pollut
; 259: 113770, 2020 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-31918126
18.
Doping-Induced Rapid Decoherence Suppresses Charge Recombination in Mono/Divalent Cation Mixed Perovskites from Nonadiabatic Molecular Dynamics Simulation.
J Phys Chem Lett
; 10(12): 3433-3439, 2019 Jun 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-31181933
19.
Synthesis and antibacterial activities of novel pleuromutilin derivatives bearing an aminothiophenol moiety.
Chem Biol Drug Des
; 92(3): 1627-1637, 2018 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29722184
20.
Synthesis and Antibacterial Activity Against MRSA of Pleuromutilin Derivatives Possessing a Mercaptoethylamine Linker.
Med Chem
; 14(6): 585-594, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-29663895