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The influence of the presence of limestone on the hydration of Portland cement was investigated. Blending of Portland cement with limestone was found to influence the hydrate assemblage of the hydrated cement. Thermodynamic calculations as well as experime ...
The connection of three tridentate 2,6-bis(1-ethyl-benzimidazol-2-yl)pyridine binding units to an extended sulfurcontaining tripodal anchor in the ligand L9 yields nine-coordinate podates [Ln(L9)]3+ upon reaction with trivalent lanthanides, Ln(III). Struct ...
When a mixed self-assembled monolayer forms on the curved surface of a gold nanoparticle two opposed point defects must form for topological reasons. Here we present a thermodynamic study proving that these defects are more reactive than other sites on the ...
Correlations between particles can lead to subtle and sometimes counterintuitive phenomena. We analyze one such case, occurring during the sudden expansion of fermions in a lattice when the initial state has a strong admixture of double occupancies. We pro ...
The calculated difference in the standard heat of formation Delta Delta H-f degrees(298.15) of n- and i-C4H3 center dot free radicals is 37.9 kJ mol(-1) for G3MP2B3 and 45.0 kJ mol(-1) for CCSD(T)-CBS (W 1 U) calculations, which seems to preclude the direc ...
Mycobacterium tuberculosis (Mtb) cytochrome P450 gene CYP121 is shown to be essential for viability of the bacterium in vitro by gene knock-out with complementation. Production of CYP121 protein in Mtb cells is demonstrated. Minimum inhibitory concentratio ...
A novel experimental set-up was used to study superstable (magic) Ba-C-60 and K-C-60 compound clusters. The most stable systems observed cannot be rationalized by simple electronic or by geometrical shell filling arguments. Annealing the clusters past the ...
We present a method that is based on the Ladd-Frenkel (LF) thermodynamic integration for the study of the rigidity of networks of particles bonded together by short-ranged square well attractive potentials. We show that, by taking the limit of the attracti ...
Self excited instabilities or oscillations of a cavitating full load vortex rope occur due to an interaction between the gas volume and the acoustic waves. From the onset of the oscillations, the amplitudes grow until they reach a maximum, called the “limi ...
We discuss the static and dynamical properties of a model of short range attractive colloidal systems. Our model is a binary mixture of particles interacting with a modified Lennard-Jones potential that we simulated by molecular dynamics. As previously fou ...