Coordination numbers and geometries form a theoretical framework for understanding and predicting materials properties. Algorithms to determine coordination numbers automatically are increasingly used for machine learning and automatic structural analysis. In this work, we introduce MaterialsCoord, a benchmark suite containing 56 experimentally-der...
© 2020 The Authors. International Journal of Quantum Chemistry published by Wiley Periodicals LLC. Quantum chemistry must evolve if it wants to fully leverage the benefits of the internet age, where the worldwide web offers a vast tapestry of tools that enable users to communicate and interact with complex data at the speed and convenience of a but...
A novel methodology for assessing evaporation (up to 48 h) through lipid-nanofilms in vitro was developed. The influence of lipid-mixture compositions on evaporation rates was studied. The evaporative fluxes and rheology of lipid-nanofilms were compared with those of human tear-lipid nanofilms in vitro.A sessile-drop technique with precise drop-vol...
This work investigates a series of interfacial materials to understand how charge-blocking layers facilitate trap-assisted photomultiplication in organic infrared detectors.
© 2020. The American Astronomical Society. All rights reserved. Physical properties of galaxies at z > 7 are of interest for understanding both the early phases of star formation and the process of cosmic reionization. Chemical abundance measurements offer valuable information on the integrated star formation history, and hence ionizing photon prod...
© 2020 Elsevier Ltd There is an interest to ensure sub-saturated water content in lines containing carbon dioxide in applications such as enhanced oil recovery and carbon sequestration, to reduce risks of hydrate blockage and corrosion. The water content of carbon dioxide at various temperatures and pressures has been measured in the past, but ther...
We report on a new measurement of the cosmic ray (CR) electron and positron spectra in the energy range of 20 MeV -- 1 GeV. The data were taken during the first flight of the balloon-borne spectrometer AESOP-Lite (Anti Electron Sub Orbital Payload), which was flown from Esrange, Sweden, to Ellesmere Island, Canada, in May 2018. The instrument accum...
Gas-phase reactions of pentavalent metal dioxide cations MVO2+ with water were studied experimentally for M = V, Nb, Ta, Pr, Pa, U, Pu, and Am. Addition of two H2O can occur by adsorption to yield hydrate (H2O)2MVO2+ or by hydrolysis to yield hydroxide MV(OH)4+. Displacement of H2O by acetone indicates hydrates for PrV, UV, PuV, and AmV, whereas no...
Photosynthetic NADH dehydrogenase-like complex type-1 (a.k.a, NDH, NDH-1, or NDH-1L) is a multi-subunit, membrane-bound oxidoreductase related to the respiratory complex I. Although originally discovered 30 years ago, a number of recent advances have revealed significant insight into the structure, function, and physiology of NDH-1. Here, we highli...
