A new SOS-DFPT approximation for NMR shielding calculations : the Loc.3 correction applied to the catalytic mechanism of Serine Proteases

2014 On the basis of structural data of the disordered tetragonal phase of tanane, the Van der Waals inter- molecular forces are computed for the 16 nearest neighbours of

This means that the amplitudes of the wave functions should decrease at the surrounding Ni atoms to produce an electron deficit there ; the amount of the

In Fig. 3 we compare the ab initio phonon dispersion relation of a 共6,6兲 BN nanotube with the corresponding zone- folding dispersion relation. The zone-folding method works equally

Regarding the mordenite zeolites, it is observed that mordenite with lower Si/Al ratio (more acidic zeolite) is substantially more active than the one with the higher Si/Al

model, we verily to high precision the linear dependence of the surface thickness on the logarithm of the lattice s12e.. Solid-on-solid (SOS) models are of great interest

To support this kind of informal reasoning where one does not consider truly arbitrary bound variables, but rather bound variables about which various freshness assumptions are

Nous avons utilisé certain employés dans la recherche dont la documentation, diagramme de flux et liste d'enquête affin d'arriver à l'évaluations de système du contrôle interne

choice of the grip material was adapted to the specimen tested at high temperature to ensure a good mechanical strength and a compatibility of thermal strains. AM1 Ni-based single-