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5 articles for “ground electronic state”
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Calculating the Normalized Absorption Population and Maximium Quantum Number of Electronic States of Isotopic B11H1 AND B11H2 of Boron Hydride Molecules
Abstract: A calculation has been carried out for the theoretical calculation of some of the spectroscopic properties of isotopic B11H1 and B11H2 Boron Hydride molecules, such as the population of the absorption spectrum of electronic transitions X, A and B as a function of the temperature in the range from 50 to 500 K, and values of J in the range of 0 to 20. It was found that the values …
Published in Emerging Trends in Chemical Engineering · Vol. 2, Issue 3, 2015 · pp. 42–49 Read article
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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 Read article
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Microwave-Assisted Synthesis of Li₃Ba₂Gd₃(MoO₄)₈ Phosphors Doped with Pr³⁺ and Sm³⁺ for High-Performance Red Emission in LED Applications
Abstract: In this study, we report the successful synthesis of Li₃Ba₂Gd₃(MoO₄)₈ (RE³⁺ = Pr³⁺, Sm³⁺) phosphors using a novel, microwave-assisted solid-state reaction method at ambient temperature. The synthesis involved the use of analytical grade reagents including Lithium Nitrate (LiNO₃), Barium Nitrate, Gadolinium Nitrate (Gd(NO₃)₃·6H₂O), Ammonium Molybdate ((NH₄)₆Mo₇O₂₄·24H₂O), and high-purity oxides of Praseodymium (Pr₂O₃) and Samarium (Sm₂O₃). The reagents were mixed in stoichiometric ratios, ground thoroughly in a pestle and mortar, and …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 18–32 Read article
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Innovative Approaches to Luminescence: Exciton-Polariton Lasers and Quantum Confinement in 2D Materials
Abstract: The phenomenon known as luminescence occurs when an external energy of any kind excites a substance's electronic state, and the excited energy is released as light. Luminescence is the absence of heat produced by light emission. Luminescence comes in a variety of forms, including thermoluminescence, bioluminescence, and chemiluminescence. Examples of luminescence include flat-screen TVs, LED lights, and bioluminescent phytoplankton. The measurement of the emission spectrum produced when previously excited atoms …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 26–33 Read article
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Return on Investments and Payback Period Calculations for Solar Rooftop Power Plants: A Case Study for Gujarat, India
Abstract: Solar roof-top and ground-top systems are proven technology now-a-days. The roof-top systems are becoming popular in residential, commercial and industrial consumers. This paper deals with payback period calculations for 1 kW and 2 kW domestic and 15 kW industrial users at Rajkot, Gujarat, India. Different solar PV investment models are discussed here in this paper. Actual solar power generation data, as well as the project data for the different sites, …
Published in Journal of Power Electronics and Power Systems · Vol. 8, Issue 1, 2018 · pp. 24–28 Read article