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오늘 본 자료
Effects of predictive and incentive value manipulation on sign- and goal-tracking behavior
María-Ríos, Cristina E. Elsevier Science B.V., Amsterdam 2023 NEUROBIOLOGY OF LEARNING AND MEMORY Vol.203 No.-
Collagen 3D matrices as a model for the study of cell behavior in pulmonary fibrosis
Machahua, Carlos, Vicens-Zygmunt, Vanesa, Ríos-Mar Informa Healthcare 2022 EXPERIMENTAL LUNG RESEARCH Vol.48 No.3
A combined BET and IQA–REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactironic supplementary information (ESI) available: Analysis of the potential energy surface associated with the 32CA reaction between nitrone 3 and ethylene 5. Table S2 with ELF data for the last structures of Phases I–III. Table S3 with relative weights and Pearson correlation coefficients R of the twelve full-partitioned IQA terms with largest REGi values along the activation IRC path associated with the zw-type 32CA reaction between nitrone 3 and ethylene 5. Table S4 with the twelve largest REGi values and Pearson correlation coefficients R corresponding to the full-partitioned IQA terms including D3(BJ) dispersion corrections. Table S5 with the relative weights and Pearson correlation coefficients R for the five most relevant VABinter energy terms coming from IQA partitioning along the activation IRC path of the studied reaction. Table S6 with relative weights and Pearson correlation coefficients R of the twelve full-partitioned IQA terms with largest REGi values along Phases I–III of the activation IRC path of the case study reaction. Summary description of the Ramer–Douglas–Peucker algorithm used for point selection of the IQA–REG analyses. See DOI: https://doi.org/10.1039/d3cp00329a
Ríos-Gutiérrez, Mar Royal Society of Chemistry 2023 Physical Chemistry Chemical Physics Vol.25 No.15
Understanding the different reactivity of (Z)- and (E)-β-nitrostyrenes in [3+2] cycloaddition reactions. An MEDT studyElectronic supplementary information (ESI) available: ωB97X-D/6-311G(d, p) optimised geometries of β-nitrostyrenes (Z)-1 and (E)-1, and of MCs MC-Z and MC-E, plot of the B3LYP
Ríos-Gutiérrez, Mar, Domingo, Luis R., Jasiński, R RSC Publishing 2021 RSC Advances Vol.11 No.16
Physical activity of Sport Sciences students during COVID-19 home confinement
María-José Mosquera-González, María-Paula Ríos-de- TAYLOR AND FRANCIS 2022 SPORT IN SOCIETY Vol.25 No.7
Does Cr(CO)3 Really behave as Catalyst in the Diels‐Alder Reaction of Styrene with Cyclopentadiene? A Molecular Electron Density Theory Study
Domingo, Luis R., Aurell, María José, Ríos‐Gutiérr John Wiley & Sons Ltd 2022 CHEMISTRYSELECT Vol.7 No.24
Unveiling the regioselectivity in electrophilic aromatic substitution reactions of deactivated benzenes through molecular electron density theoryElectronic supplementary information (ESI) available: Figure plot of the GEDT vs. the distance between nitronium NO2+ ion 4 and the aromatic ring at the TSs involved in the nitration of benzene 1 and benzenesulfonic acid 8. Figure with the ωB97X-D/6-311G(d, p) ELF basin attractor positions, together with the valence basin populations of protonated aniline. Table with the ωB97X-D
Domingo, Luis R., Ríos-Gutiérrez, Mar, Aurell, Mar Royal Society of Chemistry 2021 New Journal of Chemistry Vol.45 No.30
A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitrones with strained allenesElectronic supplementary information (ESI) available: Study of the reaction paths associated with the 32CA reaction between nitrone 15 and the simplest allene 18. BET study of the regiosiomeric r1 reactive channel associated with the 32CA reaction between nitrone 15 and the simplest allene 18 and the endo/r1 reactive channel associated with the 32CA reaction between nitrone 15 and strained allene CHDE 10. ELF topological analysis along the exo
Domingo, Luis R., Ríos-Gutiérrez, Mar, Pérez, Patr RSC Publishing 2017 RSC Advances Vol.7 No.43
Unveiling the high reactivity of experimental pseudodiradical azomethine ylides within molecular electron density theoryElectronic supplementary information (ESI) available: Fig. S1 shows the ELF topological analysis of N-phenyl and N-benzyl AYs 23 and 24. Table S1 includes ωB97X-D/6-311G(d) total energies of the stationary points involved in the 32CA reactions of AY 18 with styrene 25, benzaldehyde 26, and MFB 21, in the gas phase and in benzene. Table S2 includes ωB97X-D/6-311G(d) absolute thermodynamic data of the three reactions. Table S3 gathers C1–C(O)4 and C3–C5 distances at the ωB97X-D/6-311G(d) optimized geometries of the TSs in the gas phase and in solvent. Table S4 includes the BET data along the exo stereoisomeric path of the 32CA reaction between AY 18 and styrene 25. Table S5 includes the BET data along the endo stereoisomeric path of the 32CA reaction between AY 18 and benzaldehyde 26. Fig. S2 shows the ELF topological analysis of S1 associated with the exo and endo steroisomeric reaction paths of the 32CA reactions of AY 18 with styrene 25 and benzaldeyde 26. See DOI: https://doi.org/10.1039/d2cp05032c
Ríos-Gutiérrez, Mar Royal Society of Chemistry 2023 Physical Chemistry Chemical Physics Vol.25 No.1
Regional anesthesia in pediatrics – Non-systematic literature review
Ríos-Medina, Angela María Elsevier Science B.V., Amsterdam 2015 Colombian journal of anesthesiology Vol.43 No.3
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