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in subjects: "Chemistry, Physical and theoretical."  
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Reducing the Computational Cost of Ab Initio Methods

Description: In recent years, advances in computer technology combined with new ab initio computational methods have allowed for dramatic improvement in the prediction of energetic properties. Unfortunately, even with these advances, the extensive computational cost, in terms of computer time, memory, and disk space of the sophisticated methods required to achieve chemical accuracy - defined as 1 kcal/mol from reliable experimental data effectively - limits the size of molecules [i.e. less than 10-15 non-h… more
Date: August 2008
Creator: Mintz, Benjamin
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Standard Reference Data Publications, 1987-1989

Description: Abstract: The National Institute of Standards and Technology's Standard Reference Data Program manages a network of data centers that prepare evaluated databases of physical and chemical properties of substances. Databases are available in printed form, on magnetic tapes, diskettes, and through on-line computer networks. This document provides a comprehensive list of the products available from the National Standard Reference Data System (NSRDS) for the years 1987-1989, including indexes qualif… more
Date: December 1989
Creator: Sauerwein, Joan C.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Metallurgy Division Quarterly Progress Report for Period Ending January 31, 1952

Description: This quarterly progress report describes the ongoing research at the Metallurgy Division at the Oak Ridge National Laboratory. In particular, this report discusses the thorium research program, the slug problem, the preferred orientation and anisotropy in metals, fundamental studies of alloying, and the ANP program.
Date: August 28, 1952
Creator: Frye, John H., Jr., 1908-2001 & Bridges, W. H.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Chemical Engineering Division Thermochemical Studies Annual Report: July 1975-June 1976

Description: Standard enthalpies of formation at 298.15 K are reported for MgUO4, CaUO4, BaUO4, VF3, and PrF3 based on solution and fluorine bomb calorimetric measurements. High-temperature enthalpy increments have been determined for MgUO4 by drop calorimetry. Preliminary work on gamma -UO3 and beta-LiAl is described.
Date: 1976?
Creator: O'Hare, P. A. G.; Johnson, G. K.; Ader, M.; Hubbard, W. N.; Fredrickson, D. R.; Cafasso, F. A. et al.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Argonne National Laboratory Biology Division Quarterly Report: August to October, 1946

Description: From introductory paragraph: "This is the first quarterly report of the Biology Division of the Argonne National Laboratory. During the three-month period covered by this report, a large share of the time of many investigators has been spent in collating work done under the Biology Section of the Metallurgical laboratory for publication in the Plutonium Project Record. The large amount of work done under wartime pressure has made this, as in other divisions and projects, an important part of th… more
Date: November 21, 1946
Creator: Bruss, Austin M.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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