Comparing simulated and experimental molecular cluster distributions
نویسندگان
چکیده
منابع مشابه
Comparing simulated and experimental molecular cluster distributions.
Formation of secondary atmospheric aerosol particles starts with gas phase molecules forming small molecular clusters. High-resolution mass spectrometry enables the detection and chemical characterization of electrically charged clusters from the molecular scale upward, whereas the experimental detection of electrically neutral clusters, especially as a chemical composition measurement, down to...
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The identification of metastable states of a molecule plays an important role in the interpretation of molecular simulation data because the free-energy surface, the relative populations in this landscape, and ultimately also the dynamics of the molecule under study can be described in terms of these states. We compare the results of three different geometric cluster algorithms (neighbor algori...
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The distribution of light from architectural luminaires and other light sources is characterized by photometric distribution reports. These reports enumerate the measured luminous intensities for a sparse set of vertical and horizontal angles about the luminaire (which is modeled as a point light source). Illumination engineers and lighting specifiers often need to compare hundreds of similar p...
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Protrusion of lamellipodia during cell migration depends on the assembly of actin network. The assembly mechanism, based on dendritic filament branching, has been investigated in reconstituted in vitro systems, but little is known about the dynamical and structural properties of the actin network in the lamellipodia of migrating cells. The length and orientation of filaments are difficult to me...
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We are interested in comparing probability distributions defined on Riemannian manifold. The traditional approach to study a distribution relies on locating its mean point and finding the dispersion about that point. On a general manifold however, even if two distributions are sufficiently concentrated and have unique means, a comparison of their covariances is not possible due to the differenc...
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ژورنال
عنوان ژورنال: Faraday Discussions
سال: 2013
ISSN: 1359-6640,1364-5498
DOI: 10.1039/c3fd00031a