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Pau Besalú-Sala
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A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities
P Besalú-Sala, SP Sitkiewicz, P Salvador, E Matito, JM Luis
Physical Chemistry Chemical Physics 22 (21), 11871-11880, 2020
352020
Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties
M Chawla, A Poater, P Besalú-Sala, K Kalra, R Oliva, L Cavallo
Physical Chemistry Chemical Physics 20 (11), 7676-7685, 2018
202018
The preference for dual-gold (I) catalysis in the hydro (alkoxylation vs. phenoxylation) of alkynes
È Casals-Cruañas, OF González-Belman, P Besalú-Sala, DJ Nelson, ...
Organic & Biomolecular Chemistry 15 (30), 6416-6425, 2017
202017
Evaluation of charge-transfer rates in fullerene-based donor–acceptor dyads with different density functional approximations
P Besalú-Sala, AA Voityuk, JM Luis, M Sola
Physical Chemistry Chemical Physics 23 (9), 5376-5384, 2021
192021
Mechanistic Insights into the ortho-Defluorination-Hydroxylation of 2-Halophenolates Promoted by a Bis(μ-oxo)dicopper(III) Complex
P Besalu-Sala, C Magallon, M Costas, A Company, JM Luis
Inorganic Chemistry 59 (23), 17018-17027, 2020
92020
Bingel–Hirsch Addition of Diethyl Bromomalonate to Ion‐Encapsulated Fullerenes M@C60 (M=Ø, Li+, Na+, K+, Mg2+, Ca2+, and Cl)
P Besalú‐Sala, JM Luis, M Sola
Chemistry–A European Journal 26 (63), 14481-14487, 2020
52020
Nou funcional de la densitat per al càlcul de segones hiperpolaritzabilitats
P Besalú-Sala, P Salvador, E Matito, JM Luis
Revista de la Societat Catalana de Química, 32-37, 2020
2020
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