Search results for " Applications"
showing 10 items of 4541 documents
Revisiting the Nonadiabatic Process in 1,2-Dioxetane.
2015
Determining the ground and excited-state decomposition mechanisms of 1,2-dioxetane is essential to understand the chemiluminescence and bioluminescence phenomena. Several experimental and theoretical studies has been performed in the past without reaching a converged description. The reason is in part associated with the complex nonadiabatic process taking place along the reaction. The present study is an extension of a previous work (De Vico, L.; Liu, Y.-J.; Krogh, J. W.; Lindh, R. J. Phys. Chem. A 2007, 111, 8013-8019) in which a two-step mechanism was established for the chemiluminescence involving asynchronous O-O' and C-C' bond dissociations. New high-level multistate multi configurati…
Abel transforms with low regularity with applications to X-ray tomography on spherically symmetric manifolds
2017
We study ray transforms on spherically symmetric manifolds with a piecewise $C^{1,1}$ metric. Assuming the Herglotz condition, the X-ray transform is injective on the space of $L^2$ functions on such manifolds. We also prove injectivity results for broken ray transforms (with and without periodicity) on such manifolds with a $C^{1,1}$ metric. To make these problems tractable in low regularity, we introduce and study a class of generalized Abel transforms and study their properties. This low regularity setting is relevant for geophysical applications.
ON THE CALCULATION OF THE HEAT CAPACITY IN PATH INTEGRAL MONTE CARLO SIMULATIONS
1992
In Path Integral Monte Carlo simulations the systems partition function is mapped to an equivalent classical one at the expense of a temperature-dependent Hamiltonian with an additional imaginary time dimension. As a consequence the standard relation linking the heat capacity Cv to the energy fluctuations, <E2>−<E>2, which is useful in standard classical problems with temperature-independent Hamiltonian, becomes invalid. Instead, it gets replaced by the general relation [Formula: see text] for the intensive heat capacity estimator; β being the inverse temperature and the subscript P indicates the P-fold discretization in the imaginary time direction. This heatcapacity estimator…
Interactions of amino acids with aluminum octacarboxyphthalocyanine hydroxide. Experimental and DFT studies
2017
The influence of albumin and amino acids (l-serine, glycine, l-histidine, l-tryptophan, l-cysteine) on the properties of aluminum octacarboxyphthalocyanine hydroxide (Al(OH)PcOC) was investigated in a phosphate buffer (pH 8.0). Particular attention was paid to the spectroscopic properties and photostability of Al(OH)PcOC. The effect of albumin or amino acids on the photodegradation of Al(OH)PcOC was examined in water using red light: 685 nm and daylight irradiation. Analysis of kinetic curves indicated that interaction with those molecules increases the photostability of Al(OH)PcOC. The molecular structure of Al(OH)PcOC complexes (in vacuum and in water) with axially or equatorially coordin…
Kasiski's Test: Couldn't the Repetitions be by Accident?
2006
Abstract In searching for repetitions in a periodic polyalphabetic ciphertext, we usually find several true (causal) repetitions that give information about the period. But we also find some accidental repetitions at distances unrelated to the period which may mislead the cryptanalyst. A simple formula shows that these accidents are rather unlikely.
Accuracy assessment and position correction for low-cost non-differential GPS as applied on an industrial peat bog
1999
A low-cost, non-differentially corrected hand-held GPS receiver was tested on an industrial peat production bog. A correction procedure (‘pseudo-differential correction’) was derived that corrected data points to the nearest position on a line defining the centre of each 15-m wide field. The result was a corrected log of track points for each field for all points lying along the field. It was found that the mean orthogonal distance from a field centreline was linearly correlated with mean uncorrected GPS data error (r 2 0.99) such that as GPS error increased so the accuracy obtained by correction decreased. For a signal with a mean uncorrected error of 30 m it was possible to reduce the err…
The 2020 magnetism roadmap
2020
Following the success and relevance of the 2014 and 2017 Magnetism Roadmap articles, this 2020 Magnetism Roadmap edition takes yet another timely look at newly relevant and highly active areas in magnetism research. The overall layout of this article is unchanged, given that it has proved the most appropriate way to convey the most relevant aspects of today's magnetism research in a wide variety of sub-fields to a broad readership. A different group of experts has again been selected for this article, representing both the breadth of new research areas, and the desire to incorporate different voices and viewpoints. The latter is especially relevant for thistype of article, in which one's fi…
Mapping landscape canopy nitrogen content from space using PRISMA data
2021
Abstract Satellite imaging spectroscopy for terrestrial applications is reaching maturity with recently launched and upcoming science-driven missions, e.g. PRecursore IperSpettrale della Missione Applicativa (PRISMA) and Environmental Mapping and Analysis Program (EnMAP), respectively. Moreover, the high-priority mission candidate Copernicus Hyperspectral Imaging Mission for the Environment (CHIME) is expected to globally provide routine hyperspectral observations to support new and enhanced services for, among others, sustainable agricultural and biodiversity management. Thanks to the provision of contiguous visible-to-shortwave infrared spectral data, hyperspectral missions open enhanced …
Active learning strategies for the deduplication of electronic patient data using classification trees.
2012
Graphical abstractDisplay Omitted Highlights? Active learning for medical record linkage is used on a large data set. ? We compare a simple active learning strategy with a more sophisticated variant. ? The active learning method of Sarawagi and Bhamidipaty (2002) 6] is extended. ? We deliver insights into the variations of the results due to random sampling in the active learning strategies. IntroductionSupervised record linkage methods often require a clerical review to gain informative training data. Active learning means to actively prompt the user to label data with special characteristics in order to minimise the review costs. We conducted an empirical evaluation to investigate whether…
An architecture for autonomous agents exploiting conceptual representations
1998
An architecture for autonomous agents is proposed that integrates the functional and the behavioral approaches to robotics. The integration is based on the introduction of a conceptual level, linking together a subconceptual, behavioral, level, and a linguistic level, encompassing symbolic representation and data processing. The proposed architecture is described with reference to an experimental setup, in which the robot task is that of building a significant description of its working environment. © 1998 Elsevier Science B.V. All rights reserved.