Detalhe da pesquisa
1.
Spontaneous Degradation of the "Forever Chemicals" Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) on Water Droplet Surfaces.
J Am Chem Soc
; 2024 Apr 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-38584396
2.
Counterintuitive Oxidation of Alcohols at Air-Water Interfaces.
J Am Chem Soc
; 145(8): 4791-4799, 2023 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36795890
3.
Mechanistic Understanding of Superoxide Radical-Mediated Degradation of Perfluorocarboxylic Acids.
Environ Sci Technol
; 56(1): 624-633, 2022 01 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-34919383
4.
Potential Application of Machine-Learning-Based Quantum Chemical Methods in Environmental Chemistry.
Environ Sci Technol
; 56(4): 2115-2123, 2022 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35084191
5.
Prediction Models on pKa and Base-Catalyzed Hydrolysis Kinetics of Parabens: Experimental and Quantum Chemical Studies.
Environ Sci Technol
; 55(9): 6022-6031, 2021 05 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33565873
6.
Atmospheric Chemistry of Allylic Radicals from Isoprene: A Successive Cyclization-Driven Autoxidation Mechanism.
Environ Sci Technol
; 55(8): 4399-4409, 2021 04 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33769798
7.
Heterogeneous Formation of HONO Catalyzed by CO2.
Environ Sci Technol
; 55(18): 12215-12222, 2021 09 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34323471
8.
Formation Mechanisms of Iodine-Ammonia Clusters in Polluted Coastal Areas Unveiled by Thermodynamics and Kinetic Simulations.
Environ Sci Technol
; 54(15): 9235-9242, 2020 08 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32589408
9.
Role of hydrogen bond capacity of solvents in reactions of amines with CO2: A computational study.
J Environ Sci (China)
; 91: 271-278, 2020 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-32172976
10.
Development of Prediction Models on Base-Catalyzed Hydrolysis Kinetics of Phthalate Esters with Density Functional Theory Calculation.
Environ Sci Technol
; 53(10): 5828-5837, 2019 05 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30955323
11.
Effects of Atmospheric Water on ·OH-initiated Oxidation of Organophosphate Flame Retardants: A DFT Investigation on TCPP.
Environ Sci Technol
; 51(9): 5043-5051, 2017 May 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-28368609
12.
Response to Comment on "Mechanistic Understanding of Superoxide Radical-Mediated Degradation of Perfluorocarboxylic Acids".
Environ Sci Technol
; 56(8): 5289-5291, 2022 04 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35320677
13.
Predicting adsorption of organic compounds onto graphene and black phosphorus by molecular dynamics and machine learning.
Environ Sci Pollut Res Int
; 30(50): 108846-108854, 2023 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-37759049
14.
Simulating and Predicting Adsorption of Organic Pollutants onto Black Phosphorus Nanomaterials.
Nanomaterials (Basel)
; 12(4)2022 Feb 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-35214919
15.
Organic acid-ammonia ion-induced nucleation pathways unveiled by quantum chemical calculation and kinetics modeling: A case study of 3-methyl-1,2,3-butanetricarboxylic acid.
Chemosphere
; 284: 131354, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34216930
16.
Formation of free radicals by direct photolysis of halogenated phenols (HPs) and effects of DOM: A case study on monobromophenols.
J Hazard Mater
; 391: 122220, 2020 06 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32050140
17.
Modeling adsorption of organic pollutants onto single-walled carbon nanotubes with theoretical molecular descriptors using MLR and SVM algorithms.
Chemosphere
; 214: 79-84, 2019 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-30261420
18.
Determination of 21 antibiotics in sea cucumber using accelerated solvent extraction with in-cell clean-up coupled to ultra-performance liquid chromatography-tandem mass spectrometry.
Food Chem
; 258: 87-94, 2018 Aug 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-29655759