Detalhe da pesquisa
1.
Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling.
J Chem Phys
; 160(9)2024 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38426512
2.
Molecular Insights into the Salinity Effects on Movability of Oil-Brine in Shale Nanopore-Throat Systems.
Langmuir
; 39(46): 16494-16502, 2023 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37940415
3.
Structure, Stability, and Acidity of the Uranyl Arsenate Dimer in Aqueous Solution.
Inorg Chem
; 62(22): 8729-8738, 2023 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37222042
4.
Lithium extraction from typical lithium silicate ores by two bacteria with different metabolic characteristics: Experiments, mechanism and significance.
J Environ Manage
; 347: 119082, 2023 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37783078
5.
Superionic Silica-Water and Silica-Hydrogen Compounds in the Deep Interiors of Uranus and Neptune.
Phys Rev Lett
; 128(3): 035702, 2022 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35119900
6.
Acidity and metal complexation of edge surface of birnessite-type MnO2: Insight from first principles simulations.
J Chem Phys
; 157(22): 224703, 2022 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36546785
7.
Mixed Coordination Silica at Megabar Pressure.
Phys Rev Lett
; 126(3): 035701, 2021 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33543966
8.
Selection of Planar Chiral Conformations between Pillar[5,6]arenes Induced by Amino Acid Derivatives in Aqueous Media.
Chemistry
; 27(19): 5890-5896, 2021 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33107654
9.
Surface Acidity and As(V) Complexation of Iron Oxyhydroxides: Insights from First-Principles Molecular Dynamics Simulations.
Environ Sci Technol
; 55(23): 15921-15928, 2021 12 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34817156
10.
Facet-Dependent Photodegradation of Methylene Blue by Hematite Nanoplates in Visible Light.
Environ Sci Technol
; 55(1): 677-688, 2021 01 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33351596
11.
Enhanced Fluoride Uptake by Layered Double Hydroxides under Alkaline Conditions: Solid-State NMR Evidence of the Role of Surface >MgOH Sites.
Environ Sci Technol
; 55(22): 15082-15089, 2021 11 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-34723496
12.
Closest-Packing Water Monolayer Stably Intercalated in Phyllosilicate Minerals under High Pressure.
Langmuir
; 36(2): 618-627, 2020 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31886678
13.
Molecular dynamics simulation of CO2-switchable surfactant regulated reversible emulsification/demulsification processes of a dodecane-saline system.
Phys Chem Chem Phys
; 22(41): 23574-23585, 2020 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33057504
14.
Distribution and Mobility of Crude Oil-Brine in Clay Mesopores: Insights from Molecular Dynamics Simulations.
Langmuir
; 35(46): 14818-14832, 2019 Nov 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31660745
15.
Synthesis of 2D Hexagonal Hematite Nanosheets and the Crystal Growth Mechanism.
Inorg Chem
; 58(24): 16727-16735, 2019 Dec 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-31755255
16.
Understanding the Heterogeneous Nucleation of Heavy Metal Phyllosilicates on Clay Edges with First-Principles Molecular Dynamics.
Environ Sci Technol
; 53(23): 13704-13712, 2019 Dec 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-31697489
17.
Influences of Cation Ratio, Anion Type, and Water Content on Polytypism of Layered Double Hydroxides.
Inorg Chem
; 57(12): 7299-7313, 2018 Jun 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-29863856
18.
Uranyl Arsenate Complexes in Aqueous Solution: Insights from First-Principles Molecular Dynamics Simulations.
Inorg Chem
; 57(10): 5801-5809, 2018 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-29741893
19.
Structural Incorporation of Manganese into Goethite and Its Enhancement of Pb(II) Adsorption.
Environ Sci Technol
; 52(8): 4719-4727, 2018 04 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-29608058
20.
Complexation of carboxylate on smectite surfaces.
Phys Chem Chem Phys
; 19(28): 18400-18406, 2017 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-28678224