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Diffusion calculations with two atomic models in h.c.p Zr-Nb diluted alloys
(Elsevier Science Sa, 2017-08)
In this work we perform a comparison of atomic diffusion multi-frequency models for h.c.p. lattices. Specifically, in diluted h.c.p. αZr-Nb alloy, we calculate, the tracer self- and impurity diffusion coefficients, with ...
POLYCHELATES OF POLY(4-VINYLPYRIDINE) WITH Cu(II) AND Zn(II): SYNTHESIS,CHARACTERIZATION, AND SEMI-EMPIRICA CALCULATIONS
(Sociedad Chilena de Química, 2006)
HidroEsta, software for hydrological calculations
(Instituto Tecnológico de Costa Rica, 2016)
Graphics calculators integration into curriculum
(Addison WesleyFacultad de Educación, 1998)
The effects of graphic calculators on the teaching and learning of mathematics depend on how this new technology is integrated into the curriculum. Current research shows that graphic calculators can enhance the learning ...
Structure of acetone and dimethyl sulfoxide from Monte Carlo simulations and MM2 calculations
(Taylor & Francis Ltd, 2007-02-01)
The structure of acetone and dimethyl sulfoxide in the liquid phase is investigated using Monte Carlo simulations and MM2 calculations. The principal site - site correlations and degree of structure in both liquids have ...
NH3+N2O3 reaction. High level calculations
(Elsevier B.V., 2006-02-14)
We have undertaken a comprehensive study of the NH3 + N2O3 reaction in gas phase. Total energies of reactants, intermediates, transition states, and products have been calculated at CBS-QB3 level of theory. The corresponding ...