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Comprehensive density functional theory (DFT) approach was then performed to gain insights into their photophysical and electrochemical characters.
We performed comprehensive density functional theory (DFT) calculations to explore the possibility of the Fe-embedded hexagonal boron nitride (h-BN) sheet as a novel electrocatalyst for ORR.
Through comprehensive density functional calculations, we disentangle the relationship between the cathode potential and the ionicity of TM O bonds in O3 NaTMO2 compounds in which TM ions is a fourth- or fifth-row transition metal.
In the present work, we have investigated the stable configurations, electronic, and magnetic properties of the functionalized boron nitride (BN) nanosheets by NHx (x = 0, 1, and 2) groups by performing comprehensive density functional theory (DFT) calculations.
A comprehensive density index of GPT neurons was derived from nine measurements/case of lacZ-positive cells in Neutral Red-counterstained neocortex of experimental and control mice.
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We have carried out a comprehensive periodic density functional theory (DFT) simulations for the pristine, Oxygen defective (Ov) and Se doped BiVO4, to engineer not only its CB edge position but the overall photocatalytic and charge carrier properties.
In conclusion, the comprehensive plaque density and growth kinetics point to a three-stage model of β-amyloid accumulation.
In this study we describe a comprehensive, high-density oligonucleotide array for detection and discovery of bacteria and viruses.
However, it remains debatable whether mortality rates can be used as a measure of effective medical needs in a health system that is characterized by comprehensive and high density of supply of care; and furthermore, it can also be criticized that a high physician's density is not necessarily related to better medical care at the regional level.
In the present study, we generated one of most comprehensive and high density chickpea genetic maps from intraspecific population available to date.
With the target of improvement in the volumetric energy density, the comprehensive overview of an electrochemical cell design for Si anodes is presented with its influence on electrochemical properties.
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