5 results match your criteria: "University of Liège 4000 Liège Belgium fremacle@uliege.be.[Affiliation]"

Substituted furan-maleimide Diels-Alder adducts are bound by dynamic covalent bonds that make them particularly attractive mechanophores. Thermally activated [4 + 2] retro-Diels-Alder (DA) reactions predominantly proceed a concerted mechanism in the ground electronic state. We show that an asymmetric mechanical force along the anchoring bonds in both the and isomers of proximal dimethyl furan-maleimide adducts favors a sequential pathway.

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Broad in energy optical pulses induce ultrafast molecular dynamics where nuclear degrees of freedom are entangled with electronic ones. We discuss a matrix representation of wave functions of such entangled systems. Singular Value Decomposition (SVD) of this matrix provides a representation as a sum of separable terms.

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Ultrafast geometrical reorganization of a methane cation upon sudden ionization: an isotope effect on electronic non-equilibrium quantum dynamics.

Phys Chem Chem Phys

June 2021

Theoretical Physical Chemistry, University of Liège, 4000 Liège, Belgium. and The Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem, 91904 Jerusalem, Israel.

The ultrafast structural, Jahn-Teller (JT) driven, electronic coherence mediated quantum dynamics in the CH4+ and CD4+ cations that follows sudden ionization using an XUV attopulse exhibits a strong isotope effect. The JT effect makes the methane cation unstable in the Td geometry of the neutral molecule. Upon the sudden ionization the cation is produced in a coherent superposition of three electronic states that are strongly coupled and neither is in equilibrium with the nuclei.

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Acetate can be efficiently metabolized by the green microalga . The regular concentration is 17 mM, although higher concentrations are reported to increase starch and fatty acid content. To understand the responses to higher acetate concentrations, cells were cultivated in batch mode in the light at 17, 31, 44, and 57 mM acetate.

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