Atomic clusters lie somewhere in between isolated atoms and extended solids with distinctly different reactivity patterns. They are known to be useful as catalysts facilitating several reactions of industrial importance. Various machine learning based techniques have been adopted in generating their global minimum energy structures. …

DOI: 10.1109/EDPC48408.2019.9011914 Corpus ID: 211687735; Air gap influence in axial flux machines with different excitation @article{Schwarz2019AirGI, title={Air gap influence in axial flux machines with different excitation}, author={Patrick Schwarz and Andreas M{"o}ckel}, journal={2019 9th International Electric Drives …

A pair of chiral aggregation-induced emission (AIE) enantiomers and their racemate exhibit not only distinctively different circularly polarized luminescence behaviors, but also completely opposite mechanoluminescence (ML) activities. The data from single crystal analysis identifies that the bright ML of the Recent Progress on Aggregation …

more, a concise and fully analytic implementation that is always accurate to machine precision is obviously preferable. Remark 1.1. Unlike Black's volatility, implied Bachelier volatility calculation is a univariate problem. Remark 1.2. In order to condition the internal calculation on out-of-the money options, in practice, we always set ...

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In this paper, a method is shown by which application it is possible, that only on the basis the general mechanical properties (e.g. tensile strength, sheet thickness) and the use of data-based prognosis models of supervised machine learning to predict directly a result regarding suitable process parameters as well as expected forming result ...

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In the last decade, machine learning methods have become increasingly popular for predicting properties obtained by solutions to the Schrödinger equation, e.g. potential energy23–28, forces29–31, electronic multipole moments32, atomic charges33,34 or even multiple of these properties35,36. These methods aim to directly predict

The shown results are based on the application of kernel methods to MLA data, which allows for the evaluation of the separation efficiency for each separation machine and for different minerals. View

Abstract. The first and simplest form of the molecular orbital (MO) theory of conjugated molecules was proposed by Hückel (1–3) in 1931. Because of its simplicity and limited computational effort, this Hückel theory was especially useful in the period before the application of electronic computers to quantum chemical problems (1931-mid 1950s).

Expert Answer. Calculate the energy for vacancy formation in nickel (Ni), given that the equilibrium number of vacancies at 850°C (1123 K) is 4.7 x 1022 m. The atomic weight and density (at 850°C) for Ni are, respectively, 58.69 g/mol and 8.80 g/cm? 4.3 (a) Calculate the fraction of atom sites that are vacant for copper (Cu) at its melting ...

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decisions, e.g. whether a passphrase for disk encryption can be handed out or whether a machine shall be allowed to access the network in a Network Admission Control (NAC) system [26]. Secure Boot, in contrast to Measured Boot, verifies digital signa-tures over software components in place, before passing control to them.

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Tools. The Hückel theory, with an extended basis set consisting of 2 s and 2 p carbon and 1 s hydrogen orbitals, with inclusion of overlap and all interactions, yields a good qualitative solution of most hydrocarbon conformational problems. Calculations have been performed within the same parametrization for nearly all simple saturated and ...

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