Solvatation supercritique de métaux précieux : apports de la simulation moléculaire.
Texte intégral
Figure
Outline
Documents relatifs
(15) is the kinetic energy of the nuclei, the second one the fictitious kinetic energy of the elec- trons representing the update of the wavefunctions during the dy-
Considering different initial electronic states of doubly charged uracil, we show that fragmentation depends critically on the energy, shape and intramolecular chemical environment
(B) Water jump H-bond exchange tcf eq 2 in different environments for a dilute TMAO aqueous solution at 300 K: both the water OH group and its H-bond acceptor are in the bulk
For a dimer whose N-terminal tails were partially cleaved, the orientation angle was fluctuating around ~80° while contact separation was stabilized at ~3.6 nm,
The first stages of the cavitation process in amorphous polymers submitted to an hydrostatic deformation in the glassy state are studied with coarse grain molecular
It is found from the Fourier transform (i.e. the power spectra) of the velocity autocorrelation functions and interdiffusion current auto- correlation functions that the
The de-intercalation voltage for the removal of one lithium equivalent, 2.47 V, is intermediate between the highest voltage magnitudes for the lithium intercalation compounds LiTO 2
The main lens is imaging its object space (right) into its image space (left), distorting it in the process. The world space light field is therefore distorted into an in-camera