Buscar recursos académicos

Accelerated molecular dynamics and quantum conductance calculations are employed to shed light onto the electrochemical properties of the Au|1,8-octanedithiol|Au junction. Widely different contact geometries with varying...

BackgroundThe surface subsidence induced by coal seam mining represents a continuous dynamic evolution process. Constructing a full-time perdition model for surface subsidence in goafs holds significant theoretical and p...

Subsurface energy transition aims to mitigate climate change impacts by reducing carbon emissions while addressing energy needs through utilization of sustainable subsurface resources. It involves harnessing underground ...

Thorium and its compounds (carbides and nitrides) are being investigated as possible materials to be used as nuclear fuels for Generation-IV reactors. As a first step in the research of these materials under irradiation,...

Bharat Gurnani,1 Kirandeep Kaur2 1Department of Cataract, Cornea and Refractive Surgery, Gomabai Netralaya and Research Centre, Neemuch, MP, 458441, India; 2Department of Cataract, Pediatric Ophthalmology and Strabismus,...

We report here the virtual screening design, synthesis and activity of eight new inhibitors of SphK1. For this study we used a pre-trained Graph Convolutional Network (GCN) combined with docking calculations. This explor...

In the course of our studies on 3H-1,2-dithiole-3-thione synthesis, a serendipitous reactivity with á-haloketones, in the presence of excess of potassium iodide, has been observed. Instead of the expected reaction of th...

The relative-rate technique has been used to obtain the rate coefficients for the reactions of the saturated aldehydes (SA): Octanal (OCT) CH3(CH2)6C(O)H and Nonanal (NON) CH3(CH2)7C(O)H with OH radicals and Cl atoms at ...

Diels-Alder betweennitroalkenes derived from a sugar scaffold and cyclopentadiene were examined.Depending on chemical structure of nitroalkene and polarity of solvent used,the reaction proceeded via the formation of a ni...

The ability of phytochromes (Phy) to act as photointerconvertible light switches in plants and microorganisms depends on key interactions between the bilin chromophore and the apoprotein that promote bilin attachment and...

El Negrillar volcanic field is one of the most voluminous monogenetic volcanic fields so far identified in the Central Volcanic Zone (CVZ) of the Andes: its lava field comprises 84 eruptive phases from 35 small eruptive ...

Topicality of comparative study in Foreign Direct Investments (FDI) is determined by the need to deepen analysis of economic activity challenges and opportunities related to cross-border investments. Research in FDI tren...

As an important part of the novel power system, the renewable energy converging and boosting power grid has the phenomenon of cross and mutual supply, which leads to the inaccurate calculation of the existing line loss. ...

This work shows that predicting, using a model, the topology and even the existence range of the critical behavior in an asymmetrical ternary system, is practically impossible without a systematic strategy to build throu...

Abstract An accurate modeling of materials is essential to obtain reliable results in fields calculation. The Jiles-Atherton approach is widely used for modeling the magnetic hysteresis and depends on its set of five par...

Abstract In current research on deflector jet servo valves, the receiver pressure estimated using traditional two-dimensional simulation and theoretical calculation is always lower than the experimental data; therefore, ...

Abstract Background Formulating sophisticated fluid therapy plans can be complicated and time consuming. Consequently, veterinarians in the field who lack experience, time, or confidence may formulate suboptimal fluid th...

Abstract When several traditional flow-shop lines operate in parallel, the operation mode with no communication between production lines will no longer be the optimal production paradigm. This paper describes matrix manu...

We find that for adsorbed terephthalic acid (TPA) molecules surface Sn alloying deactivates the Cu(001) surface by decoupling the adsorbed molecules from the substrate. This effect is investigated for the case of the 0.5...

We study the effect of decoherence upon the neutrino spectra produced in microquasar jets. In order to analyse the precession of the polarization vector of neutrinos we have calculated its time evolution by solving the c...

An in silico analysis of the oxidation mechanism of allyl methyl disulfide (AMDS) by hydroxyl radical was achieved at DFT level using B3LYP, CAM-B3LYP, M06-2X, and BMK functionals and 6-311++G(3df,2p) triple-zeta basis s...

This paper presents the analysis of the technical feasibility to use a photovoltaic system to supply the electrical demand on two referential commercial aircraft, Airbus A340-300 and Cessna Conquest 441. The methodology ...

The article analyzes the typology of agricultural holdings within the Farm Accountancy Data Network (FADN) and its impact on the formation of the common agricultural policy. The study emphasizes the importance of FADN as...