Detalhe da pesquisa
1.
Tryptophan regulates Drosophila zinc stores.
Proc Natl Acad Sci U S A
; 119(16): e2117807119, 2022 04 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35412912
2.
An N-terminal acidic ß-sheet domain is responsible for the metal-accumulation properties of amyloid-ß protofibrils: a molecular dynamics study.
J Biol Inorg Chem
; 2024 May 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38811408
3.
Can we predict ambident regioselectivity using the chemical hardness?
Phys Chem Chem Phys
; 25(19): 13611-13622, 2023 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-37144347
4.
Imaging the photodissociation dynamics of internally excited ethyl radicals from high Rydberg states.
Phys Chem Chem Phys
; 25(16): 11684-11696, 2023 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37057377
5.
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional.
J Chem Phys
; 157(11): 114109, 2022 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36137794
6.
Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionals.
Phys Chem Chem Phys
; 23(4): 2953-2963, 2021 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-33480904
7.
Structural and electronic analysis of the octarepeat region of prion protein with four Cu2+ by polarizable MD and QM/MM simulations.
Phys Chem Chem Phys
; 23(38): 21568-21578, 2021 Oct 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34550129
8.
Site-specific hydrogen-atom elimination in photoexcited alkyl radicals.
Phys Chem Chem Phys
; 23(3): 2458-2468, 2021 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33463638
9.
Threshold Photoelectron Spectroscopy of the CH2I, CHI, and CI Radicals.
J Phys Chem A
; 125(28): 6122-6130, 2021 Jul 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34232644
10.
Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional.
J Phys Chem A
; 124(7): 1334-1342, 2020 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-31978298
11.
Temperature-Dependent Approach to Electronic Charge Transfer.
J Phys Chem A
; 124(26): 5465-5473, 2020 Jul 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-32501006
12.
Femtochemistry under scrutiny: Clocking state-resolved channels in the photodissociation of CH3I in the A-band.
J Chem Phys
; 152(1): 014304, 2020 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31914745
13.
An Anionic Ring Locked into an Anionic Axle: A Metastable Rotaxane with Chemically Activated Electrostatic Stoppers.
Chemistry
; 25(62): 14042-14047, 2019 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31468580
14.
The 3s versus 3p Rydberg state photodissociation dynamics of the ethyl radical.
Phys Chem Chem Phys
; 21(41): 23017-23025, 2019 Oct 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-31599893
15.
Role of Reaction Conditions in the Global and Local Two Parabolas Charge Transfer Model.
J Phys Chem A
; 122(6): 1796-1806, 2018 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29338234
16.
Complex perianal fistula in a patient with Crohn's disease treated with fistula laser closure therapy - A video vignette.
Colorectal Dis
; 25(11): 2273-2275, 2023 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37814458
17.
Chemical hardness: Temperature dependent definitions and reactivity principles.
J Chem Phys
; 149(12): 124110, 2018 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30278682
18.
Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory.
Phys Chem Chem Phys
; 19(21): 13687-13695, 2017 May 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-28497136
19.
Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case.
Phys Chem Chem Phys
; 19(18): 11588-11602, 2017 May 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-28429010
20.
New Fukui, dual and hyper-dual kernels as bond reactivity descriptors.
Phys Chem Chem Phys
; 19(24): 16095-16104, 2017 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-28598466