Detalhe da pesquisa
1.
A computational study of a light-driven artificial device: a third generation rotational photo-molecular motor in dilute solutions.
Phys Chem Chem Phys
; 26(6): 5399-5407, 2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38273806
2.
Noble gas hydrides: theoretical prediction of the first group of anionic species.
Phys Chem Chem Phys
; 26(9): 7377-7387, 2024 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38376451
3.
Noble-gas compounds: A general procedure of bonding analysis.
J Chem Phys
; 156(1): 014104, 2022 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34998326
4.
Design and Characterization of Myristoylated and Non-Myristoylated Peptides Effective against Candida spp. Clinical Isolates.
Int J Mol Sci
; 23(4)2022 Feb 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35216297
5.
The Spike Mutants Website: A Worldwide Used Resource against SARS-CoV-2.
Int J Mol Sci
; 23(21)2022 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36361870
6.
Structural Evolution of Delta (B.1.617.2) and Omicron (BA.1) Spike Glycoproteins.
Int J Mol Sci
; 23(15)2022 Aug 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35955815
7.
Noble Gas-Silicon Cations: Theoretical Insights into the Nature of the Bond.
Molecules
; 27(14)2022 Jul 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-35889465
8.
Ionization of 2- and 4(5)-Nitroimidazoles Radiosensitizers: A "Kinetic Competition" Between NO2 and NO Losses.
Chemphyschem
; 22(23): 2387-2391, 2021 12 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34597457
9.
Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein.
Int J Mol Sci
; 22(11)2021 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34067272
10.
On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng'= He-Xe): Relationships betweenStructure, Stability, and Bonding Character.
Molecules
; 26(5)2021 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33671081
11.
Concerning the Role of σ-Hole in Non-Covalent Interactions: Insights from the Study of the Complexes of ArBeO with Simple Ligands.
Molecules
; 26(15)2021 Jul 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-34361629
12.
Complexes of helium with neutral molecules: Progress toward a quantitative scale of bonding character.
J Comput Chem
; 41(10): 1000-1011, 2020 Apr 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31960984
13.
VUV Photofragmentation of Chloroiodomethane: The Iso-CH2I-Cl and Iso-CH2Cl-I Radical Cation Formation.
J Phys Chem A
; 124(37): 7491-7499, 2020 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-32786965
14.
Structural Analysis and Design of Chionodracine-Derived Peptides Using Circular Dichroism and Molecular Dynamics Simulations.
Int J Mol Sci
; 21(4)2020 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-32092980
15.
Multiple Recombination Events and Strong Purifying Selection at the Origin of SARS-CoV-2 Spike Glycoprotein Increased Correlated Dynamic Movements.
Int J Mol Sci
; 22(1)2020 Dec 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-33374797
16.
Noncovalent Complexes of the Noble-Gas Atoms: Analyzing the Transition from Physical to Chemical Interactions.
J Comput Chem
; 40(26): 2318-2328, 2019 Oct 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31254471
17.
Complexation of short ds RNA/DNA oligonucleotides with Gemini micelles: a time resolved SAXS and computational study.
Phys Chem Chem Phys
; 19(4): 3046-3055, 2017 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-28079203
18.
Bimolecular Homolytic Substitutions at Nitrogen: An Experimental and Theoretical Study on the Gas-Phase Reactions of Alkyl Radicals with NF3.
Chemistry
; 21(44): 15826-34, 2015 Oct 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-26345356
19.
Complexes of XeHXe⺠with simple ligands: a theoretical investigation on (XeHXeâº)L (L = N2, CO, H2O, NH3).
J Phys Chem A
; 119(11): 2383-92, 2015 Mar 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-25285705
20.
Bonding Motifs of Noble-Gas Compounds As Described by the Local Electron Energy Density.
J Phys Chem A
; 119(24): 6528-41, 2015 Jun 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-25988571