Results 1 to 10 of about 20,843 (169)

The UV-Visible Absorption Spectra of Coumarin and Nile Red in Aqueous Solution: A Polarizable QM/MM Study [PDF]

open access: yesMolecules
We present a comprehensive computational study of the UV-visible absorption spectra of 7-methoxycoumarin and Nile red in aqueous solution. Our fully atomistic workflow couples classical molecular dynamics (MD) with polarizable QM/MM based on fluctuating ...
Tommaso Giovannini   +2 more
doaj   +2 more sources

Fractional-Valued Modal Logic and Soft Bilateralism

open access: yesBulletin of the Section of Logic, 2023
In a recent paper, under the auspices of an unorthodox variety of bilateralism, we introduced a new kind of proof-theoretic semantics for the base modal logic \(\mathbf{K}\), whose values lie in the closed interval \([0,1]\) of rational numbers [14].
Mario Piazza   +2 more
doaj   +1 more source

Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman

open access: yesMolecules, 2022
We unravel the potentialities of resonance Raman spectroscopy to detect ibuprofen in diluted aqueous solutions. In particular, we exploit a fully polarizable quantum mechanics/molecular mechanics (QM/MM) methodology based on fluctuating charges coupled ...
Sara Gómez   +4 more
doaj   +1 more source

Class Size and Class Heterogeneity [PDF]

open access: yesSSRN Electronic Journal, 2009
We study how class size and composition affect the academic and labor market performances of college students, two crucial policy questions given the secular increase in college enrollment. We rely on the random assignment of students to teaching classes. Our results suggest that a one standard deviation increase in the class-size would result in a 0.1
Giacomo De Giorgi   +2 more
openaire   +4 more sources

Fine Tuning the Intermolecular Interactions of Water Clusters Using the Dispersion-Corrected Density Functional Theory

open access: yesMolecules, 2023
Dispersion-inclusive density functional theory (DFT) methods have unequivocally demonstrated improved performances with respect to standard DFT approximations for modeling large and extended molecular systems at the quantum mechanical level. Yet, in some
Alfonso Ferretti   +4 more
doaj   +1 more source

L’écrivaine Auguste Hauschner (1850-1924)

open access: yesTr@jectoires, 2022
L’écrivaine Auguste Hauschner (1850–1924) a fait l’objet d’un succès critique et populaire de son vivant, mais occupe aujourd’hui une place quasiment inexistante dans l’histoire littéraire.
Alexia Rosso
doaj   +1 more source

Fonti per la storia del comunismo italiano, il colonialismo e la decolonizzazione in Africa

open access: yesStoricamente, 2023
The international politics of the Italian communist party has been mainly investigated focusing the party’s entanglement with the Soviet Union, in a framework dominated by the East-West conflict.
Gregorio Sorgonà
doaj   +1 more source

O giro decolonial e suas contribuições para a análise da proteção social na América Latina

open access: yesServiço Social em Revista, 2021
Na América Latina, especialmente no Brasil, o tema da proteção social, seu processo de institucionalização e sua configuração, tem sido abordado, historicamente, a partir de perspectiva teórica e prática europeia; por isso, este estudo busca contribuir ...
Nayara Cristina Bueno   +1 more
doaj   +1 more source

Classes scolaires, classes d’âge, classes sociales [PDF]

open access: yesEnquête, 1991
La sociologie de l’education des annees 1970 et 1980 en France, en partie aussi celle des pays anglo-saxons – mais celle-ci a un moindre degre du fait de l’existence d’un courant assez solidement institue de description des cultures adolescentes lie aux etudes de stratification d’une part, d’autre part a des champs plus specifiques, notamment ceux de ...
openaire   +2 more sources

Conservation of asymptotic charges from past to future null infinity: Maxwell fields

open access: yesJournal of High Energy Physics, 2018
On any asymptotically-flat spacetime, we show that the asymptotic symmetries and charges of Maxwell fields on past null infinity can be related to those on future null infinity as recently proposed by Strominger.
Kartik Prabhu
doaj   +1 more source

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