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
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
Inglês
| MEDLINE | ID: mdl-38376451
3.
Computational Exploration of the Synergistic Anticancer Effect of a Multi-Action Ru(II)-Pt(IV) Conjugate.
Inorg Chem
; 61(32): 12903-12912, 2022 Aug 15.
Artigo
Inglês
| MEDLINE | ID: mdl-35900874
4.
Noble-gas compounds: A general procedure of bonding analysis.
J Chem Phys
; 156(1): 014104, 2022 Jan 07.
Artigo
Inglês
| MEDLINE | ID: mdl-34998326
5.
Noble Gas-Silicon Cations: Theoretical Insights into the Nature of the Bond.
Molecules
; 27(14)2022 Jul 19.
Artigo
Inglês
| MEDLINE | ID: mdl-35889465
6.
How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly.
Molecules
; 27(17)2022 Sep 01.
Artigo
Inglês
| MEDLINE | ID: mdl-36080406
7.
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
Inglês
| MEDLINE | ID: mdl-34067272
8.
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
Inglês
| MEDLINE | ID: mdl-33671081
9.
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
Inglês
| MEDLINE | ID: mdl-34361629
10.
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
Inglês
| MEDLINE | ID: mdl-31960984
11.
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
Inglês
| MEDLINE | ID: mdl-31254471
12.
Noble Gas Anions: An Overview of Strategies and Bonding Motifs.
Chem Asian J
; : e202400191, 2024 May 12.
Artigo
Inglês
| MEDLINE | ID: mdl-38735841
13.
WEP: a high-performance analysis pipeline for whole-exome data.
BMC Bioinformatics
; 14 Suppl 7: S11, 2013.
Artigo
Inglês
| MEDLINE | ID: mdl-23815231
14.
G-quadruplex DNA selective targeting for anticancer therapy: a computational study of a novel PtII monofunctional complex activated by adaptive binding.
Dalton Trans
; 52(38): 13517-13527, 2023 Oct 03.
Artigo
Inglês
| MEDLINE | ID: mdl-37718620
15.
Oxygen adsorption on ß-quartz model surfaces: some insights from density functional theory calculations and semiclassical time-dependent dynamics.
J Phys Chem A
; 116(9): 1975-83, 2012 Mar 08.
Artigo
Inglês
| MEDLINE | ID: mdl-22295901
16.
Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experiments.
Phys Chem Chem Phys
; 13(6): 2342-9, 2011 Feb 14.
Artigo
Inglês
| MEDLINE | ID: mdl-21132200
17.
Photoabsorption spectra of a natural polyphenol compound for therapeutic applications: the protocatechuic acid in dilute water solution at room temperature.
Phys Chem Chem Phys
; 12(15): 3859-63, 2010 Apr 21.
Artigo
Inglês
| MEDLINE | ID: mdl-20358080
18.
A fast redox-induced switching mechanism in a conformationally controllable molecular thread in solution.
Phys Chem Chem Phys
; 12(18): 4552-4, 2010 May 14.
Artigo
Inglês
| MEDLINE | ID: mdl-20428532
19.
Assignment of UV-vis spectrum of (3,3')-diindolylmethane, a Leishmania donovani topoisomerase IB inhibitor and a candidate DNA minor groove binder.
J Phys Chem A
; 114(26): 7121-6, 2010 Jul 08.
Artigo
Inglês
| MEDLINE | ID: mdl-20550156
20.
UV-vis spectra of the anticancer camptothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study.
J Phys Chem B
; 113(16): 5369-75, 2009 Apr 23.
Artigo
Inglês
| MEDLINE | ID: mdl-19334673