Renato Contreras
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Explore the profile of Renato Contreras including associated specialties, affiliations and a list of published articles.
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Articles
35
Citations
174
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Recent Articles
1.
Sanchez P, Salas C, Gallardo-Fuentes S, Villegas A, Veloso N, Honores J, et al.
Chem Biodivers
. 2022 May;
19(6):e202101036.
PMID: 35581163
The successful application of fragment-based drug discovery strategy for the efficient synthesis of phenoxy- or phenylamino-2-phenyl-benzofuran, -benzoxazole and -benzothiazole quinones is described. Interestingly, in the final step of the synthesis...
2.
Sanchez B, Campodonico P, Contreras R
Front Chem
. 2022 Apr;
10:861379.
PMID: 35433634
An experimental and computational methodology for the analysis of the Lewis acid/base responses of ionic liquids (ILs) and deep eutectic solvents (DES) is proposed. It is based on the donor...
3.
Contreras R, Lodeiro L, Rozas-Castro N, Ormazabal-Toledo R
Phys Chem Chem Phys
. 2021 Jan;
23(3):1994-2004.
PMID: 33439167
We herein report an ab initio molecular dynamics study on a natural DES composed of urea and betaine in a 3 : 2 ratio, as a test case for evaluating...
4.
Lodeiro L, Barria-Caceres F, Jimenez K, Contreras R, Montero-Alejo A, Menendez-Proupin E
ACS Omega
. 2020 Nov;
5(45):29477-29491.
PMID: 33225179
Characterization and control of surfaces and interfaces are critical for photovoltaic and photocatalytic applications. In this work, we propose CHNHPbI (MAPI) perovskite slab models whose energy levels, free of quantum...
5.
Ortega D, Ormazabal-Toledo R, Contreras R, Matute R
Org Biomol Chem
. 2019 Nov;
17(46):9874-9882.
PMID: 31710071
E1cB and E2 eliminations have been described as competing mechanisms that can even share a common pathway when the E1cB/E2 borderline mechanism operates. A suitable case study evincing such a...
6.
Sanchez B, Calderon C, Tapia R, Contreras R, Campodonico P
Front Chem
. 2018 Nov;
6:509.
PMID: 30406087
Nucleophilic aromatic substitution reactions of 4-chloroquinazoline toward aniline and hydrazine were used as a model system to experimentally show that a substrate bearing heteroatoms on the aromatic ring as substituent...
7.
Lodeiro L, Contreras R, Ormazabal-Toledo R
J Phys Chem B
. 2018 Jul;
122(32):7907-7914.
PMID: 30036060
We report on several parameters that can be used to describe the 1-ethyl-3-methyl-4,5-(X)imidazolium cations (where X = H, Br, and I) within the Canongia-Lopez and Padua Force Field (CL&P) framework....
8.
Alarcon-Esposito J, Contreras R, Tapia R, Campodonico P
Chemistry
. 2016 Aug;
22(37):13347-51.
PMID: 27506894
We report an experimental study on the effect of solvents on the model SN Ar reaction between 1-chloro-2,4-dinitrobenzene and morpholine in a series of pure ionic liquids (IL). A significant...
9.
Perez-Mendez C, Fuentealba P, Contreras R
J Chem Theory Comput
. 2015 Nov;
5(11):2944-9.
PMID: 26609975
In the process of evaluating intrinsic electronic chemical potentials and related properties of anions in the gas phase, positive values for this quantity often arise. We herein examine in detail...
10.
Gazitua M, Fuentealba P, Contreras R, Ormazabal-Toledo R
J Phys Chem B
. 2015 Sep;
119(41):13160-6.
PMID: 26403375
We herein report on the effect that water molecules, present as impurities, in the vicinity of an ionic liquid model structure, may induce on the Lewis acidity/basicity patterns normally observed...