Ab-initio simulation of novel solid electrolytes

Isofulminic acid, HONC, the most energetic stable isomer of isocyanic acid HNCO, higher in energy by 84 kcal/mol, has been detected spectroscopically by rotational

The low-lying vibrational states of H 2 CO are determined and compared to harmonic, quartic force field correlation-corrected vibrational self-consistent field (cc-VSCF), 40

L’archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des

The ideal electrolyte materials for ASSBs should feature the following important properties: (i) High ionic conductivity of 10 − 3 S cm − 1 at room temperature, (ii) low

Finalement, nous avons montré que la co-expression et la spécificité tissulaire des paralogues à travers les régions du cerveau pouvaient être utilisées pour

Ross STREET, Macquarie University: street@math.mq.edu.au Walter THOLEN, York University: tholen@mathstat.yorku.ca Myles TIERNEY, Rutgers University:

The scope of the journal includes: all areas of pure category theory, including higher dimensional categories; applications of category theory to algebra, geometry and

A great deal of physical insight into the electronic structure of interfaces (and many other defects) has been provided relatively easily by the empirical tight binding method