Detalhe da pesquisa
1.
Formation of Polymer-like Nanochains with Short Lithium-Lithium Distances in a Water-in-Salt Electrolyte.
J Am Chem Soc
; 146(12): 8142-8148, 2024 Mar 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38486506
2.
Correlating Substrate Reactivity at Electrified Interfaces with the Electrolyte Structure in Synthetically Relevant Organic Solvent/Water Mixtures.
J Am Chem Soc
; 146(25): 17495-17507, 2024 Jun 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38863085
3.
S.O.S: Shape, orientation, and size tune solvation in electrocatalysis.
J Chem Phys
; 160(9)2024 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38426524
4.
Size dependence of hydrophobic hydration at electrified gold/water interfaces.
Proc Natl Acad Sci U S A
; 118(15)2021 Apr 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-33876767
5.
Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions.
J Am Chem Soc
; 144(49): 22734-22746, 2022 12 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36468903
6.
Confining Water in Ionic and Organic Solvents to Tune Its Adsorption and Reactivity at Electrified Interfaces.
Acc Chem Res
; 54(4): 1034-1042, 2021 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33530686
7.
Electron transfer of functionalized quinones in acetonitrile.
J Chem Phys
; 157(9): 094103, 2022 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36075704
8.
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes.
J Chem Phys
; 157(18): 184801, 2022 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36379806
9.
Unexpectedly High Capacitance of the Metal Nanoparticle/Water Interface: Molecular-Level Insights into the Electrical Double Layer.
Angew Chem Int Ed Engl
; 61(5): e202112679, 2022 Jan 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34796598
10.
The role of hydrophobic hydration in the free energy of chemical reactions at the gold/water interface: Size and position effects.
J Chem Phys
; 155(20): 204706, 2021 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34852496
11.
Effect of the metallicity on the capacitance of gold-aqueous sodium chloride interfaces.
J Chem Phys
; 155(4): 044703, 2021 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34340400
12.
Solvation of anthraquinone and TEMPO redox-active species in acetonitrile using a polarizable force field.
J Chem Phys
; 155(7): 074504, 2021 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34418918
13.
A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile.
Phys Chem Chem Phys
; 22(19): 10561-10568, 2020 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32073058
14.
Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization.
Phys Chem Chem Phys
; 22(19): 10438-10446, 2020 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32103218
15.
Structural and dynamic properties of soda-lime-silica in the liquid phase.
J Chem Phys
; 153(21): 214505, 2020 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33291914
16.
Solvation structure of lanthanide(iii) bistriflimide salts in acetonitrile solution: a molecular dynamics simulation and EXAFS investigation.
Phys Chem Chem Phys
; 21(24): 13058-13069, 2019 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31168535
17.
On the coordination of Zn2+ ion in Tf2N- based ionic liquids: structural and dynamic properties depending on the nature of the organic cation.
Phys Chem Chem Phys
; 20(4): 2662-2675, 2018 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-29319089
18.
2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations.
J Chem Phys
; 148(17): 174701, 2018 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29739203
19.
How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study.
Chemistry
; 23(35): 8424-8433, 2017 Jun 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28319278
20.
Development of Lennard-Jones and Buckingham Potentials for Lanthanoid Ions in Water.
Inorg Chem
; 56(11): 6214-6224, 2017 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-28493693