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Energy spectrum of selected diatomic molecules (H2, CO, I2, NO) by the resolution of Schrodinger equation for combined potentials via NUFA method
ContextTo determine the properties of diatomic molecules, studying their chemical bond energy spectrum is essential since it enables the assessment...
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Ultrabroadband Nanostructured Metamaterial Absorber for Visible and Short-Infrared Spectrum
This research investigates the design of a nanostructured metamaterial absorber, featuring a core composition of nickel (Ni) metallic patch...
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Vibrational Spectrum of ‘3-iodo-2-propynenitrile (IC3N)’ from accurate CCSD(T)-F12b/MP2-F12 potential energy surface
The high-resolution infrared spectrum of IC 3 N has been the subject of numerous experimental studies. Relying on a hybrid anharmonic potential CCSD(T)...
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Vibrational Spectroscopies, Global Reactivity, Molecular Docking, Thermodynamic Properties and Linear and Nonlinear Optical Parameters of Monohydrate Arsenate Salt of 4-Aminopyridine
In this work, a structural and electronic properties of a novel organic arsenate template by 4-aminopyridine, with the general formula (C 5 H 7 N 2 )(C 5 H 8 N 2 )[AsO...
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Modeling of Processes and Physicochemical Properties of Fluids in the Near- and Supercritical Regions of State Parameters: Review
AbstractThe studies on the modeling of processes and physicochemical properties of fluid systems in the near- and supercritical regions of state...
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Sensitivity analysis of operating parameters of proton exchange membrane fuel cells
The sensitivity of the operating parameters of proton exchange membrane fuel cells is essential to improve the performance and water management...
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Immobilization of lipase enzyme onto herbal silver nanoparticles and examination of biochemical parameters of immobilized enzyme
Nanoparticles are useful for immobilization due to their size and physical properties. The present study aimed to synthesize herbal silver...
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Hydroalcoholic mixtures: the effect of the solvent on the electronic spectrum of the indicator methyl orange
In this study, the behavior of the electronic spectrum of the indicator methyl orange in water–methanol, water–ethanol, water– n -propanol, water– iso -pr...
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Influence of Material Parameters on the Optical Excitation of Surface Plasmon Polaritons
We present a study of the efficiency of excitation of surface plasmon polaritons (SPP) at a vacuum-metal interface as a function of the permittivity...
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On the Physical Meaning of the Parameters of Intermolecular Interaction Potentials in the Asymptotic Line Wing Theory
AbstractFormulas for the absorption coefficient in the asymptotic line wing theory (ALWT) in spectral regions far from the centers of strong lines...
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Photocatalytic Reactors Design and Operating Parameters on the Wastewater Organic Pollutants Removal
Industrial and municipal wastewater include various organic pollutants such as dyes, pesticides, pharmaceutical products, and aromatic compounds. Due...
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Bulk Parameters Effect and Comparative Performance Analysis of p-Si/n-CdS/ALD-ZnO Solar Cell
The primary concern of the Si-based solar cells heterostructure devices is the dopant-free selectively contacting carriers with p-type Si wafers. The...
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Helium Plasma Effects on Polymer Surfaces: from Plasma Parameters and Surface Properties towards Bioengineering Applications
Plasma treatment is necessary to optimize the performance of biomaterial surfaces. It enhances and regulates the performance of biomaterial surfaces,...
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An integrated strategy of spectrum–effect relationship and near-infrared spectroscopy rapid evaluation based on back propagation neural network for quality control of Paeoniae Radix Alba
The quantitative analysis of near-infrared spectroscopy in traditional Chinese medicine has still deficiencies in the selection of the measured...
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Effect of Repulsive Electronic States on the Parameters of the Fine Structure of the Ground Electronic State of an OH Radical
AbstractCalculations of the contribution from excited electronic states to parameters of the fine structure of the ground electronic state of an OH...
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Magnetic Parameters and Magnetic Functions in Mononuclear Complexes Beyond the Spin-Hamiltonian Formalism
Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Λ-tensor involving only the matrix...
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Influence of physico-chemical parameters on natural radionuclides in the coastal belt of Kollam district, South west coast of India
The present investigation assessed the influence of physico-chemical parameters on natural radionuclides in the Kollam coastal belt which is a high...
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Computational design of a broad-spectrum multi-epitope vaccine candidate against seven strains of human coronaviruses
Spike (S) proteins are an attractive target as it mediates the binding of the SARS-CoV-2 to the host through ACE-2 receptors. We hypothesize that the...
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Changes in selected chemical and sensory parameters during aging of red wines produced in Poland
The study of the chemical composition of wines is of continuing interest to researchers, despite extensive knowledge about it. Many analyses focus on...
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Effect of edible coatings on quality parameters and phenol composition of ready-to-eat Salanova lettuce
Minimally processed fresh-cut leafy vegetables are becoming one of the fastest growing segments in the food industry. In this context, new strategies...
