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The thermally induced hysteretic spin transition (ST) that occurs in the polymeric chain compound Fe(NH(2)trz)(3)(2) (1) above room temperature (T-c(sic) = 347 K, T-c(sic) = 314 K) has been tracked by Fe-57 Mossbauer spectroscopy, SQUID magnetometry ...
High temperature mechanical properties of zirconia reinforced with carbon-nanotubes (CNTs) are studied by mechanical spectroscopy. CNTs limit zirconia grain-boundary sliding (GBS) and consequently deformation. Concurrent grain-growth and plastic deformatio ...
Fast measurements of aerosol and gas-phase constituents coupled with the ISORROPIA-II thermodynamic equilibrium model are used to study the partitioning of semivolatile inorganic species and phase state of Mexico City aerosol sampled at the T1 site during ...
Microorganisms provide a wealth of bio-degradative potential in the reduction and elimination of xenobiotic compounds in the environment. One useful metric to evaluate potential biodegradation pathways is thermodynamic feasibility. However, experimental da ...
Thermodynamic feasibility analysis (TFA) has been used as a toot capable of providing additional constraints to the mass balance-based methods of analysis of Metabolic networks (e.g., flux balance analysis). Several publications have recently appeared in w ...
Deviations from statistical binding, that is cooperativity, in self-assembled polynuclear complexes partly result from intermetallic interactions Delta E-M,E-M, whose magnitudes in solution depend on a balance between electrostatic repulsion and solvation ...
We present a molecular dynamics study on the interaction of styryl-type voltage-sensitive dyes with a lipid membrane. In this work, voltage-sensitive dyes are proposed as interesting model amphiphiles for biomolecular simulation, due to the wealth of bioph ...
Our work investigates the precipitation mechanism of a seeded calcium carbonate reaction, by using cryogenic TEM to observe the early stages of the reaction. The early precipitation of a hydrated phase is proposed as an intermediate phase before transforma ...
A general and rigorous methodology to compute the quantum equilibrium isotope effect is described. Unlike standard approaches, ours does not assume separability of rotational and vibrational motions and does not make the harmonic approximation for vibratio ...
Thermodynamic solubility calculations are normally only related to thermodynamic equilibria in solution. In this paper, we extend the use of such solubility calculations to help elucidate possible precipitation reaction pathways during the entire reaction. ...