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LUMO delocalization maps. [PDF]
LUMO delocalization map of (A) oxidized quercetin and (B) oxidized monoHER. In oxidized monoHER, the rutin group at C3-O and the ethoxygroup at C7-O were replaced by methyl groups and for quercetin, the most abundant tautomer (>99%) was used. The LUMO of
Hilde Jacobs (359999) +4 more
core +1 more source
The construction of metro line energy management center (MLEMC) is one of the important parts of metro line, which is the key organization to realize the energy consumption management of the metro operation.
Nan Jiang +4 more
doaj +1 more source
Metal–organic framework (MOF) films are essential for numerous sensor and device applications. However, metal-organic framework materials have poor machinability due to their predominant powder-like nature, and their presence as the active layer in a ...
Jinlong Mu +7 more
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Theoretical and experimental prediction of corrosion inhibition efficiency of isatin and its derivatives by DFT calculations and weight loss method: A comparative study [PDF]
The corrosion inhibition performance of isatin and its N1/C5 substituted derivatives were analyzed by DFT calculation (B3LYP, 6311g, dp) in gas phase and solvation method with the help of Gaussian 09W and Gaussian 16.
Joseph Xavier Raj Jone Celestina +6 more
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Public emergencies often have an impact on the production and operation of enterprises. Timely and effective quantitative measurement of enterprises’ offline resumption of work after public emergencies is conducive to the formulation and implementation ...
Suzheng Tian +3 more
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Constructing 3D geological models based on large-scale geological maps
The construction of 3D geological models based on geological maps is a subject worthy of study. The construction of geological interfaces is the key process of 3D geological modeling.
Wu Xuechao +6 more
doaj +1 more source
Accurate bathymetric and topographical information is crucial for coastal and marine applications. In the past decades, owing to its low cost and high efficiency, satellite-derived bathymetry has been widely used to estimate the depth of shallow water in
Yuan Le +7 more
doaj +1 more source
Tuning the HOMO Energy of the Triarylamine Molecules with Orthogonal HOMO and LUMO Using Functional Groups [PDF]
Tuning the HOMO and LUMO energy strategically of triphenylamine derivatives plays an important role towards understanding and design of high performance organic photovoltaics.
Lichang, Wang +5 more
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MAC-GAN: A Community Road Generation Model Combining Building Footprints and Pedestrian Trajectories
Community roads are crucial to community navigation. There are automatic methods to obtain community roads using trajectories, but the sparsity and uneven density distribution of community trajectories present significant challenges in identifying ...
Lin Yang +3 more
doaj +1 more source
A Parallel-Computing Approach for Vector Road-Network Matching Using GPU Architecture
The road-network matching method is an effective tool for map integration, fusion, and update. Due to the complexity of road networks in the real world, matching methods often contain a series of complicated processes to identify homonymous roads and ...
Bo Wan +5 more
doaj +1 more source

