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8 articles for “excited states”
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Using Machine Learning to Guess Photochemical Reaction Pathways
Abstract: Photochemical reactions are crucial to many activities in the fields of energy conversion, environmental cleanup, and synthetic chemistry. However, predicting their causes and results effectively is still very hard since they entail excited electronic states, nonadiabatic transitions, and complicated potential energy surfaces. Machine learning (ML) has been a powerful technique to go along with classic quantum chemistry methods in the last few years. It offers better prediction capability and lower …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 01–12 Read article
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Activation Energy in Photochemical and Thermally Driven Reactions: Mechanistic Insights, Kinetic Modelling and Photocatalytic Applications
Abstract: Chemical reactions constitute fundamental processes in which reactants are transformed into products through the breaking and formation of chemical bonds. In photochemical systems, these transformations are initiated or influenced by the absorption of light, making energy transfer mechanisms particularly significant. A key parameter governing reaction kinetics is activation energy, defined as the minimum energy required for reactant molecules to undergo a successful transformation. This article focuses on the role of …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 4, Issue 1, 2026 · pp. 21–26 Read article
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Fluorescence Emission Enhancement in Crystalline Photonic Structures
Abstract: One of the two ways that a material that has absorbed light or other electromagnetic radiation can emit light is through fluorescence. Fluorspar is a substance that can be added to welding compounds to facilitate easier flow; the word fluorescent is derived from the Latin fluere, which means "to flow." LED lights, clothing that glows in "black light," or light sources that contain UV or blue light, and butterflies like …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 2, 2024 · pp. 35–48 Read article
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DFT/Data Guided Predictive Modelling of Absorption Maxima in the OLED Rubrene Derivatives
Abstract: This study investigates the optical properties of rubrene derivatives to develop an accurate predictive model for absorption maxima using computational chemistry and chemoinformatic techniques. We benchmarked various quantum chemical methods, identifying that the M06-2X/aug-cc-pVDZ method in dichloromethane (DCM) provided the strongest correlation with experimental data. Key molecular descriptors such as band gap, ionization potential, and electrophilicity index were calculated and analyzed using principal component analysis (PCA) to identify significant factors …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 41–56 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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Photonic-Assisted Spintronic Solid-State Switching Model for High-Speed Memory Devices
Abstract: The rapid advancement of high-speed computing and data-centric applications has intensified the demand for energy-efficient and ultra-fast memory technologies. This paper proposes a Photonic-Assisted Spintronic Solid-State Switching Model for next-generation high-speed memory devices. The proposed framework integrates photonic excitation mechanisms with spintronic switching dynamics to enhance data transfer speed, minimize switching delay, and reduce power dissipation in solid-state memory architectures. By combining optical pulse-assisted spin polarization with magnetic tunnel junction-based …
Published in International Journal of Solid State Innovations & Research · Vol. 4, Issue 1, 2026 Read article
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The Future of Robotics: A Review of AI-Enabled Robotics Research, Development, and Applications
Abstract: Robotics powered by artificial intelligence (AI) is transforming contemporary industries by empowering machines to learn, adapt, and operate on their own in intricate, changing contexts. The breadth and capabilities of automation have been greatly expanded by the convergence of AI technologies with robots, including machine learning, deep learning, computer vision, and natural language processing (NLP). With an emphasis on technological advancements, application areas, and research advances, this study examines current …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 3, Issue 2, 2025 · pp. 33–38 Read article
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Light-Matter Interactions in Molecular Photochemistry
Abstract: Molecular photochemistry explores the ways of molecules interaction with light, absorb photons, and excited‐state processes, and ultimately conversion of photon energy into chemical change. Core concepts of this innovative and relevant field are matter interaction like electronic, vibrational, and rotational transitions; non‐adiabatic couplings; energy & electron transfer; and light–matter coupling in weak and strong regimes. This article briefly surveys the multiplicity of these interactions, from the fundamentals of photon absorption …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 33–42 Read article