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Women showed poorer HRQoL and higher malnutrition risk. A relationship between HRQoL and risk of malnutrition was observed. Results suggest that when energy and protein, lipid, phosphorus, magnesium, selenium and niacin intake increase, HRQoL is promoted, although the increase does not seem to have a strong direct effect on it. The limited influence of energy and nutrient intake on HRQoL observed requires further research.

The use of the Ehrenfest method to simulate the relaxation of molecules in solution is explored. Using the cyanide ion dissolved in water as a test model, the independent trajectory (IT) and the bundle of trajectories (BT) approximations are shown to provide very different results for the time evolution of the vibrational populations of the solute. None of these approximations reproduce the Boltzmann equilibrium vibrational populations accurately. A modification of the Ehrenfest method based on the use of quantum correction factors is thus proposed to solve this problem. The simulations carried out using the modified Ehrenfest method provide IT and BT relaxation times which are closer to each other and which agree quite well with previous hybrid perturbative results.

The one-atom cage effect in I 2 (B)-Ar : Evidence that caging is inefficient for the T-shaped isomer Erratum: "On nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I 2 − Ar n cluster ions" [J.Nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I 2 − Ar n cluster ions A molecular dynamics simulation addressing the problem of thermodynamic versus kinetic control of the isomers population of van der Waals complexes in a supersonic expansion is presented. The populations of the linear and T-shaped isomers of I 2 (X)¯Ar in a supersonic beam expansion were determined by molecular dynamics simulation as a function of the distance to the nozzle and compared to the prediction of thermodynamics. The surprising conclusion is that although there is a barrier equal to half the well depth between the two isomers, their populations are consistent with the existence of thermodynamic equilibrium. This result is rationalized by examining the cooling mechanisms in the ArϩI 2 (X)¯Ar collisions. In addition to the direct isomerization, a new mechanism ͑swap cooling͒, which induces isomerization even for complexes with barriers above the dissociation limit, is evidenced.