Chiral light-matter interactions have been investigated for two centuries, leading to the discovery of many chiroptical processes used for discrimination of enantiomers. Whereas most chiroptical effects result from a response of bound electrons, photoionization can produce much stronger chiral signals that manifest as asymmetries in the angular dis...
The PUREX process has been designed for the reprocessing of spent nuclear fuel to separate uraniumand plutonium from the fission products. In accident scenario, the solvent can ignite itself, releasing involatile forms PuO2, PuO3 or PuO2(OH)2. Our theoretical study focusses on the thermodynamics properties of the former two species for which large ...
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A G{\"o}rling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schr{\"o}dinger (RS)-based perturbation theory introduced in a previous work [E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker, A. Savin, Mol. Phys. 113...
While direct reactions with activation barriers are now routinely calculated, reactions going through a longlivedintermediate complex are much more difficult to study[1, 2]. Complex-forming reactions are often barrierlessand are thus relevant to the field of cold and utra-cold chemistry [2]. With decreasing temperature, wave effectsbecome increasin...
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