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Chemistry Division Semiannual Progress Report for Period Ending December 20, 1955

Description: Semiannual Progress report of the Oak Ridge National Laboratory Chemistry Division providing updates on various projects, experiments, and other work in inorganic and physical chemistry, nuclear chemistry, organic chemistry, chemical physics, chemistry of separation processes, radiation chemistry, and reactor chemistry.
Date: April 13, 1956
Creator: Taylor, E. H. & Bredig, M. A.
Partner: UNT Libraries Government Documents Department
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High energy atomic chemistry and chemical radiation effects. Progress report, January 1, 1973--December 31, 1973

Description: Research progress is reported on high energy atomic chemistry studies that include stopping power research; classical trajectory calculations; F to HF abstraction reactions; hot substitution reactions; and fast neutron dosimetry. A listing is included of technical publications resulting from the research and manuscripts in preparation. Abstracts of technical papers scheduled for presentation are also included. (DHM)
Date: January 1, 1973
Partner: UNT Libraries Government Documents Department
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Halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1975--February 14, 1976

Description: High energy reactions of halogen atoms or ions, activated by nuclear transformations, are being studied in gaseous, high pressure, and condensed phase saturated and unsaturated hydrocarbons, halomethanes, and other organic systems. Experimental and theoretical data are presented in the following areas: systematics of iodine hot atom reactions in halomethanes, reactions and systematics of iodine reactions with pentene and butene isomers, radiative neutron capture activated reactions of iodine wi… more
Date: February 1, 1976
Creator: Rack, E.P.
Partner: UNT Libraries Government Documents Department
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Chemistry Division Quarterly Progress Report: Period Ending September 30, 1951

Description: This quarterly progress report discusses topics of research and experimentation at the Oak Ridge National Laboratory, including inorganic chemistry, nuclear chemistry, radio-organic chemistry, chemistry of separations processes, chemical physics, radiation chemistry, chemistry of the solid state, instrumentation, reactor chemistry.
Date: September 30, 1951
Creator: Lind, Samuel C., (Samuel Colville), 1879-1965; Boyd, G. E. & Bredig, M. A.
Partner: UNT Libraries Government Documents Department
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Calix 2007:9th International Conference on Calixarene Chemistry

Description: The DOE funds helped support an International Conference, Calix 2007, whose focus was on Supramolecular Chemistry. The conference was held at the University of Maryland from August 6-9, 2007 (Figure 1). The conference website is at www.chem.umd.edu/Conferences/Calix2007. This biannual conference had previously been held in the Czech Republic (2005), Canada (2003), Netherlands (2001), Australia (1999), Italy (1997), USA (Fort Worth, 1995) Japan (1993) and Germany (1991). Calixarenes are cup-shap… more
Date: September 9, 2011
Creator: Davis, Jeffery
Partner: UNT Libraries Government Documents Department
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On the Synergistic Effect in Solvent Extraction

Description: The studies of Irving and Edgington, and Healy on the synergistic effects of tributyl phosphate (TBP) and tri-n-octylphosphine oxide (TOPO) on the solvent extraction of thorium and other metals by thenoyltrifluoroacetone (TTA) are discussed. It is shown that the synergistic effect is a result of addition reactions as well as replacement reactions and is not a function of the metal being extracted. A compilation of equilibrium constants describing the synergistic effect of TBP and TOPO on TTA … more
Date: June 1962
Creator: Newman, Leonard
Partner: UNT Libraries Government Documents Department
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Chemistry Division Semiannual Progress Report for Period Ending June 20, 1955

Description: Continued work on the adsorbability of metal complexes from concentrated LiCl solutions and LiCl-HCl mixtures on a strong-base anion-exchange resin further demonstrated the much higher adsorbability of these complexes from LiCl solutions than from HCl solutions. The effect is believed to be due to the formation of less strongly adsorbed undissociated chloro-complex acids in the case of the HCl solutions.
Date: June 20, 1955
Creator: Taylor, E. H. & Bredig, M. A.
Partner: UNT Libraries Government Documents Department
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Computational Studies of the Photophysical, Structural, and Catalytic Properties of Complex Chemical Systems

Description: Computational chemistry employs mathematical algorithms, statistics, and large databases to integrate chemical theory with experimental observations. Computational modeling allows us to make predictions concerning molecular properties and reactivity that ultimately lead to accurate assessment of the most important fundamental properties of chemical systems. Advances in theoretical techniques and computer power have dramatically increased the usefulness and importance of computational chemistry … more
Date: May 2021
Creator: Melancon, Kortney
Partner: UNT Libraries

Machine Learning in Computational Chemistry

Description: Machine learning and artificial intelligence are increasingly becoming mainstream in our daily lives, from smart algorithms that recognize us online to cars that can drive themselves. In this defense, the intersection of machine learning and computational chemistry are applied to the generation of new PFAS molecules that are less toxic than those currently used today without sacrificing the unique properties that make them desirable for industrial use. Additionally, machine learning is used t… more
This item is restricted from view until June 1, 2024.
Date: May 2022
Creator: Kuntz, David Micah
Partner: UNT Libraries
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Future directions for separation science in nuclear and radiochemistry

Description: Solvent extraction and ion exchange have been the most widely used separation techniques in nuclear and radiochemistry since their development in the 1940s. Many successful separations processes based on these techniques have been used for decades in research laboratories, analytical laboratories, and industrial plants. Thus, it is easy to conclude that most of the fundamental and applied research that is needed in these areas has been done, and that further work in these ''mature'' fields is u… more
Date: January 1, 1986
Creator: Pruett, D.J.
Partner: UNT Libraries Government Documents Department
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The Crisis in Radiochemistry and Nuclear Chemistry Education

Description: A brief summary of the current status of radiochemistry and nuclear chemistry in the U. S. and abroad will be given. Current and future needs for scientists in these fields, especially in the U. S., will be discussed. Challenges that must be met in order to reverse the ''catastrophic'' downward trend in the numbers of students, faculty, and university programs in radiochemistry and nuclear chemistry will be considered, and some potential ways to reinvigorate and expand relevant university resea… more
Date: October 13, 2005
Creator: Hoffman, D C
Partner: UNT Libraries Government Documents Department
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