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Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations
(2018-09-29)
In QM/MM calculations, it is essential to handle electrostatic interactions between the QM and MM subsystems accurately and efficiently. To achieve maximal efficiency, it is convenient to adopt a hybrid scheme, where the ...
Evaluating the Impact of a Virtual Reality Workstation in an Academic Library: Methodology and Preliminary Findings
(2018-11)
Collections of 3D models and the analytic affordances of virtual reality (VR) systems can be integrated to form a
“3D digital heritage ecosystem” (Limp, et al., 2011), providing a potentially richer and more intuitive ...
Identification of active sites on supported metal catalysts with carbon nanotube hydrogen highways
(2018-09-20)
Catalysts consisting of metal particles supported on reducible oxides exhibit promising
activity and selectivity for a variety of current and emerging industrial processes. Enhanced
catalytic activity can arise from ...
‘Let's Go Gank Ourselves a Paris Hilton’: A Textual Analysis of the Dialogue of Supernatural (the First 10 Years)
(2018)
While it may seem counterintuitive to examine a visual medium through its dialogue alone, linguists such as Paulo Quaglio and Monika Bednarak have been doing just that. Using a freeware concordance toolkit and other computer ...
Non-autonomous accusative case in Estonian
(2018)
In Estonian, some objects of verbs show an alternation in case-marking that seems to be conditioned by morphological number: genitive when singular, nominative when plural. According to traditional descriptions (Erelt et ...
M Is Not Just for STEM: How Myths about the Purposes of Mathematics Education Have Narrowed Mathematics Curricula in the United States
(2018-04-10)
When public schooling was first introduced in the United States, early proponents emphasized the need for mathematics as critical for an informed citizenry in a democracy. Half a century later, this purpose of mathematics ...
Evaluation of geoimputation strategies in a large case study
(2018)
Background: Health data usually has missing or incomplete location information, which impacts the quality of
research. Geoimputation methods are used by health professionals to increase the spatial resolution of address ...
Automated detection of bird roosts using NEXRAD radar data and Convolutional neural networks
(2018-08-22)
Although NEXRAD radars have proven to be an effective tool for detecting airborne animals, detecting biological phenomena in radar images often involves a manual, time‐ consuming data‐extraction process. This paper focuses ...
An Analytical Model for the Regeneration of Wind after Exiting a Wind Farm
(2018-08-08)
The simplest model for an atmospheric boundary layer assumes a uniform steady wind over a certain depth, of order 1 km, with the forces of friction, pressure gradient and Coriolis in balance. A linear model is here employed ...
Temperature effects in the thermal conductivity of aligned amorphous polyethylene—A molecular dynamics study
(2018-09-10)
We analyze, through molecular dynamics simulations, the temperature dependence of the thermal conductivity (k) of chain-oriented amorphous polyethylene (PE). We find that at increasing levels of orientation, the temperature ...