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Low-Energy Atomic Processes Including Ones Involving a Positron

Description: Data management plan for the grant, "Low-Energy Atomic Processes Including Ones Involving a Positron." The proposed research in theoretical atomic physics involves few-body systems of charged particles, especially ones that involve the antiparticle of the electron, which is a positron. One of these systems is the positronium negative ion, which is comprised of two electrons and a positron. The exotic positronium atom is similar to the conventional hydrogen atom, but the positive charge in the a… more
Date: 2022-09-01/2025-08-31
Creator: Quintanilla, Sandra J.
Item Type: Refine your search to only Text
Partner: UNT College of Science
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Partition of Neutral Molecules and Ions from Water to o-Nitrophenyl Octyl Ether and of Neutral Molecules from the Gas Phase to o-Nitrophenyl Octyl Ether

Description: This article sets out an equation for partition of 87 neutral molecules from water to o-nitrophenyl octyl ether, NPOE, an equation for partition of the 87 neutral molecules and 21 ionic species from water to NPOE, and an equation for partition of 87 neutral molecules from the gas phase to NPOE.
Date: February 16, 2018
Creator: Abraham, M. H. (Michael H.); Acree, William E. (William Eugene) & Liu, Xiangli
Item Type: Refine your search to only Article
Partner: UNT College of Science
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Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors

Description: Article describes study demonstrating that solute hydrogen bond acidity, solute hydrogen bond basicity and solute volume all lower the diffusion constants of ions and nonelectrolytes in the various solvents studied.
Date: May 21, 2019
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Item Type: Refine your search to only Article
Partner: UNT College of Science
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Self-Assembly-Directed Organization of a Fullerene–Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization

Description: This article creates a well-defined architecture for functional materials composed of spontaneously self-assembled electron donor and acceptor entities capable of generating long-lived charge-separated states upon photoillumination and reports the synthesis of a new fullerene–bis-Zn-porphyrin e-bisadduct by tether-directed functionalization of C60 via a multistep synthetic protocol.
Date: July 14, 2021
Creator: Caballero, Rubén; Barrejón, Myriam; Cerdá, Jesús; Aragó, Juan; Seetharaman, Sairaman; de la Cruz, Pilar et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
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PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking

Description: Article describes the development of a physics-based molecular force field (PMFF) by integrating a set of potential energy functions in which each term in an intermolecular potential energy function is derived based on experimental values, such as the dipole moments, lattice energy, proton transfer energy, and X-ray crystal structures.
Date: January 15, 2020
Creator: Hwang, Sung Bo; Lee, Chang Joon; Lee, Sehan; Ma, Songling; Kang, Young-Mook; Cho, Kwang-Hwi et al.
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Partner: UNT College of Science
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Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K

Description: Article presenting the calculation of the vapour pressure of organic molecules at 298.15 K using a commonly applicable computer algorithm based on the group-additivity method. The standard entropy of vaporization ΔS°vap has been determined and compared with experimental data of 1129 molecules, exhibiting excellent conformance with a correlation coefficient R2 of 0.9598, a standard error σ of 8.14 J/mol/K and a medium absolute deviation of 4.68%.
Date: February 17, 2021
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
Item Type: Refine your search to only Article
Partner: UNT College of Science
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Metal-organic framework nanocrystal-derived hollow porousmaterials: Synthetic strategies and emerging applications

Description: Article discusses how the fascinating, functional properties and applications of MOF-derived hollow porous materials primarily lie in their chemical composition, hollow character, and unique porous structure. The authors discuss a comprehensive overview of the synthetic strategies and emerging applications of hollow porous materials derived from MOF-based templates and/or precursors.
Date: September 13, 2022
Creator: Lui, Xiaolu; Verma, Guarav; Chen, Zhongshan; Hu, Baowei; Huang, Qifei; Yang, Hui et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
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A covalently linked nickel(II) porphyrin–ruthenium(II) tris(bipyridyl) dyad for efficient photocatalytic water oxidation

Description: Article describes how photocatalytic water splitting into H2 and O2 has attracted significant scientific interest for solar energy conversion applications during the last two decades. Authors of the article further elaborate that One of the half-reactions of this process, water oxidation, is known to be the key step in natural and artificial photosynthesis to convert and store solar energy.
Date: October 5, 2022
Creator: Nikoloudakis, Emmanouil; Alsaleh, Ajyal Z.; Charalambidis, Georgios; Coutsolelos, Athanassios G. & D'Souza, Francis
Item Type: Refine your search to only Article
Partner: UNT College of Science
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Green synthesis of olefin-linked covalent organic frameworks for hydrogen fuel cell applications

Description: This article creates a green strategy to fabricate a highly crystalline olefin-linked pyrazine-based covalent organic framework (COF) with high robustness and porosity under solvent-free conditions. This study opens up new possibilities for the green synthesis of advanced materials and provides important guidance for the rational design and synthesis of polymeric materials for proton-exchange membrane fuel cell applications.
Date: March 31, 2021
Creator: Wang, Zhifang; Yang, Yi; Zhao, Zhengfeng; Zhang, Penghui; Zhang, Yushu; Liu, Jinjin et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
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N-Doped graphene/C₆₀ covalent hybrid as a new material for energy harvesting applications

Description: This article systematically investigates the degree of functionalization and the key structural features of the N-G/C₆₀ hybrid by a number of techniques including thermogravimetric analysis, X-ray photoelectron and Raman spectroscopies and transmission electron and atomic force microscopies.
Date: August 26, 2018
Creator: Barrejón, Myriam; Arellano, Luis M.; Gobeze, Habtom B.; Gómez-Escalonilla, María J.; Fierro, Jose Luis G.; D'Souza, Francis et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
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Connecting Low- and High-redshift Weak Emission-line Quasars via Hubble Space Telescope Spectroscopy of Lyα Emission

Description: Article presents ultraviolet spectroscopy covering the Lyα + N v complex of six candidate low-redshift (0.9 < z < 1.5) weak emission-line quasars (WLQs) based on observations with the Hubble Space Telescope.
Date: April 14, 2022
Creator: Paul, Jeremiah D.; Plotkin, Richard M.; Shemmer, Ohad; Anderson, Scott F.; Brandt, W. N.; Fan, Xiaohui et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
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Exploring Changes in Quasar Spectral Energy Distributions across C iv Parameter Space

Description: This article examines the UV/X-ray properties of 1378 quasars in order to link empirical correlations to theoretical models of the physical mechanisms dominating quasars as a function of mass and accretion rate.
Date: June 6, 2022
Creator: Rivera, Angelica B.; Richards, Gordon T.; Gallagher, Sarah C.; McCaffrey, Trevor V.; Rankine, Amy L.; Hewett, Paul C. et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
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Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF4]

Description: This article presents the use of AMOEBA-based polarizable ab initio AM/MM simulations to investigate the reaction mechanism of the N-tert-butoxycarbonylation of aniline in a water/1-ethyl, 3-methyl imidazolium/tetrafluoroborate mixture.
Date: October 31, 2018
Creator: Vázquez-Montelongo, Erik Antonio; Vázquez-Cervantes, José Enrique & Cisneros, Gerardo Andrés
Item Type: Refine your search to only Article
Partner: UNT College of Science
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