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We develop a method to determine redox levels of half reactions through the use of ab initio molecular dynamics evolving at constant Fermi energy. This scheme models the effect of an electrode by controlling the charge transfer between the single-particle ...
We introduce a nonequilibrium molecular dynamics simulation approach, based on the generalized Langevin equation, to study vibrational energy relaxation in pump probe spectroscopy. A colored noise thermostat is used to selectively excite a set of vibration ...
Trans-lesion synthesis polymerases, like DNA Polymerase-eta (Pol-eta), are essential for cell survival. Pol-eta bypasses ultraviolet-induced DNA damages via a two-metal-ion mechanism that assures DNA strand elongation, with formation of the leaving group p ...
The variability of cross-shore thermally driven exchange was examined using ensemble averages of observations from the Kilo Nalu Observatory on the south shore of Oahu Hawaii. The cross-shore vertical shear, top-bottom temperature difference, and cross-sho ...
En 1951, la bibliothèque centrale de Lucerne a été construite par Otto Dreyer. L'architecte arrange, dans un espace vert d'un quartier d'îlots, des volumes différents. Cette composition par addition est faite avec un jeu précis des volumes, positionnés ave ...
Point contacts provide simple connections between macroscopic particle reservoirs. In electric circuits, strong links between metals, semiconductors, or superconductors have applications for fundamental condensed-matter physics as well as quantum informati ...
American Association for the Advancement of Science2015
Non local addressing-the "remote control"- of molecular switches promises more efficient processing for information technology, where fast speed of switching is essential. The surface state of the (111) facets of noble metals, a confined two-dimensional el ...
Recently, some studies examined how downtown parking space limitation re-shapes the morning commute in the case of a single origin-destination network. This paper further formulates and analyses the commuting equilibrium problem of both mode and departure ...
An amphiphilic fluorescent dye with a disulfonated BODIPY head group and a heptadecyl side chain is described. In buffered aqueous solution, the amphiphile can form aggregates with a critical micelle concentration of similar to 20 mu M. The aggregation of ...
Understanding phase transitions of fluids confined within nanopores is important for a wide variety of technological applications. It is well known that fluids confined in nanopores typically demonstrate freezing-point depressions, ΔTf, described by the Gi ...
