Aurora Munoz-Losa
Overview
Explore the profile of Aurora Munoz-Losa including associated specialties, affiliations and a list of published articles.
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Articles
23
Citations
233
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Recent Articles
1.
Barata-Morgado R, Sanchez M, Munoz-Losa A, Martin M, Olivares Del Valle F, Aguilar M
J Phys Chem A
. 2018 Mar;
122(11):3096-3106.
PMID: 29489369
A comparison between the free-energy surfaces of the all- trans-retinal protonated Schiff base (RPSB) and its 10-methylated derivative in gas phase and methanol solution is performed at CASSCF//CASSCF and CASPT2//CASSCF...
2.
Mai S, Gattuso H, Fumanal M, Munoz-Losa A, Monari A, Daniel C, et al.
Phys Chem Chem Phys
. 2017 Oct;
19(40):27240-27250.
PMID: 28984331
We present a quantum-chemical investigation of the excited states of the complex [Re(CO)(Im)(Phen)] (Im = imidazole; Phen = 1,10-phenanthroline) in solution including spin-orbit couplings and vibrational sampling. To this aim,...
3.
Garcia-Prieto F, Munoz-Losa A, Fdez Galvan I, Sanchez M, Aguilar M, Martin M
J Chem Theory Comput
. 2017 Jan;
13(2):737-748.
PMID: 28072537
Substituent and solvent effects on the excited state dynamics of the Photoactive Yellow Protein chromophore are studied using the average solvent electrostatic potential from molecular dynamics (ASEP/MD) method. Four molecular...
4.
Garcia-Prieto F, Munoz-Losa A, Sanchez M, Martin M, Aguilar M
Phys Chem Chem Phys
. 2016 Oct;
18(39):27476-27485.
PMID: 27711413
In an attempt to shed light on the environmental effects on the deactivation channels of the PYP chromophore, radiative and non-radiative deactivation mechanisms of the anionic p-coumaric acid methyl ester...
5.
Banyasz A, Ketola T, Munoz-Losa A, Rishi S, Adhikary A, Sevilla M, et al.
J Phys Chem Lett
. 2016 Sep;
7(19):3949-3953.
PMID: 27636653
Adenyl radicals generated in DNA single and double strands, (dA) and (dA)·(dT), by one- and two-photon ionization by 266 nm laser pulses decay at 600 nm with half-times of 1.0...
6.
Banyasz A, Martinez-Fernandez L, Ketola T, Munoz-Losa A, Esposito L, Markovitsi D, et al.
J Phys Chem Lett
. 2016 May;
7(11):2020-3.
PMID: 27163876
The reaction intermediate in the path leading to UV-induced formation of adenine dimers A═A and AA* is identified for the first time quantum mechanically, using PCM/TD-DFT calculations on (dA)2 (dA:...
7.
Neugebauer J, Curutchet C, Munoz-Losa A, Mennucci B
J Chem Theory Comput
. 2015 Dec;
6(6):1843-51.
PMID: 26615844
We present a QM/QM approach for the calculation of solvent screening effects on excitation-energy transfer (EET) couplings. The method employs a subsystem time-dependent density-functional theory formalism [J. Chem. Phys. 2007,...
8.
Fdez Galvan I, Martin M, Munoz-Losa A, Aguilar M
J Chem Theory Comput
. 2015 Nov;
5(2):341-9.
PMID: 26610110
A theoretical study of the absorption and fluorescence UV/vis spectra of N,N-dimethylaniline in different solvents has been performed, using a method combining quantum mechanics, molecular mechanics, and the mean field...
9.
Curutchet C, Munoz-Losa A, Monti S, Kongsted J, Scholes G, Mennucci B
J Chem Theory Comput
. 2015 Nov;
5(7):1838-48.
PMID: 26610008
We present a combined quantum mechanics and molecular mechanics (QM/MM) method to study electronic energy transfer (EET) in condensed phases. The method introduces a quantum mechanically based linear response (LR)...
10.
Munoz-Losa A, Martin M, Fdez Galvan I, Sanchez M, Aguilar M
J Chem Theory Comput
. 2015 Nov;
7(12):4050-9.
PMID: 26598350
The radiative and nonradiative decay of a model with five double bonds of the 11-cis-retinal protonated Schiff base was studied both in vacuum and in methanol solution using an extended...