Detalhe da pesquisa
1.
A Second Glass Transition Observed in Single-Component Homogeneous Liquids Due to Intramolecular Vitrification.
J Am Chem Soc
; 145(48): 26061-26067, 2023 Dec 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-37978954
2.
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems.
Philos Trans A Math Phys Eng Sci
; 381(2250): 20220234, 2023 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37211033
3.
Multiscale QM/MM modelling of catalytic systems with ChemShell.
Phys Chem Chem Phys
; 25(33): 21816-21835, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37097706
4.
Low-frequency vibrational modes in G-quadruplexes reveal the mechanical properties of nucleic acids.
Phys Chem Chem Phys
; 23(23): 13250-13260, 2021 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34095914
5.
Polyamorphism Mirrors Polymorphism in the Liquid-Liquid Transition of a Molecular Liquid.
J Am Chem Soc
; 142(16): 7591-7597, 2020 04 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32249557
6.
Synthesis of fused tricyclic systems by thermal Cope rearrangement of furan-substituted vinyl cyclopropanes.
Org Biomol Chem
; 16(21): 3970-3982, 2018 05 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-29761822
7.
Understanding the emergence of the boson peak in molecular glasses.
Nat Commun
; 14(1): 215, 2023 Jan 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36639380
8.
Enhancing the Mitochondrial Uptake of Phosphonium Cations by Carboxylic Acid Incorporation.
Front Chem
; 8: 783, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33033715
9.
Author Correction: Understanding the emergence of the boson peak in molecular glasses.
Nat Commun
; 14(1): 884, 2023 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-36797270
10.
An investigation into the unusual linkage isomerization and nitrite reduction activity of a novel tris(2-pyridyl) copper complex.
R Soc Open Sci
; 4(8): 170593, 2017 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-28879000
11.
MitoNeoD: A Mitochondria-Targeted Superoxide Probe.
Cell Chem Biol
; 24(10): 1285-1298.e12, 2017 Oct 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-28890317
12.
The electronic and solvatochromic properties of [Co(L)(bipyridine)2]+ (L = o-catecholato, o-benzenedithiolato) species: a combined experimental and computational study.
Dalton Trans
; 45(39): 15575-15585, 2016 Oct 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-27722641
13.
Selective superoxide generation within mitochondria by the targeted redox cycler MitoParaquat.
Free Radic Biol Med
; 89: 883-94, 2015 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-26454075
14.
Insights into enzymatic halogenation from computational studies.
Front Chem
; 2: 98, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-25426489