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Rediscovery of the Elements
49
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14
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3
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2
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Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds
This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds.
Date:
August 7, 1997
Creator:
Cundari, Thomas R., 1964- & Raby, Philip D.
Object Type:
Article
System:
The UNT Digital Library
A Theoretical Investigation of Donor-Acceptor Bonding between Amines and Silylenes
Article on a theoretical investigation of donor-acceptor bonding between amines and silylenes.
Date:
September 23, 1993
Creator:
Conlin, Robert T.; Laakso, Dianna & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Theoretical modeling study of the reaction H + CF4 → HF + CF3
This article determines the rate constant of the reaction H + CF₄ → HF + CF₃, characterizing its transition state by quantum-chemical methods.
Date:
March 23, 2021
Creator:
Cobos, Carlos J.; Knight, Gary; Marshall, Paul & Troe, Jürgen
Object Type:
Article
System:
The UNT Digital Library
Theoretical Studies of Reactions of Silanes
Article on theoretical studies of reactions of silanes.
Date:
January 31, 1994
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Theoretical Studies of the RSOO, ROSO, RSO2 and HOOS (R = H, CH3) Radicals
Article on theoretical studies of the RSOO, ROSO, RSO2 and HOOS (R=H, CH3) radicals.
Date:
September 16, 1994
Creator:
Laakso, Dianna; Smith, C. E.; Goumri, Abdellatif; Rocha, John-David Ray & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
A theoretical study of M–M′ polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 11 metal centres
Article describes how complexes with closed-shell (d10–d10) interactions have been studied for their interesting luminescence properties in organic light-emitting diode (OLED) devices. The present computational study aims at understanding the chemical bonding/interactions in a series of molecules with unusually short metal–metal bond distances between monovalent coinage-metal (d10–d10) centres.
Date:
February 8, 2023
Creator:
Rabaâ, Hassan; Sundholm, Dage & Omary, Mohammad A.
Object Type:
Article
System:
The UNT Digital Library
A Theoretical Study of Nitrososilane and Six Isomers of SiH3NO
Article on a theoretical study of nitrososilane and six isomers of SiH2NO.
Date:
January 8, 1993
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Thermal dissociation of SO₃ at 1000-1400 K
Article on the thermal dissociation of SO3 at 1000 - 1400 K.
Date:
January 12, 2006
Creator:
Yilmaz, Ayten; Hindiyarti, Lusi; Jensen, Anker Degn; Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids
Article discussing thermochemical and theoretical studies of dimethylpyridine-2,6-dicarboxylate and pyridine-2,3-, pyridine-2,5- and pyridine-2,6-dicarboxylic acids.
Date:
May 6, 2005
Creator:
Matos, M. Agostinha R.; Morais, Victor M. F.; Silva, Maria D. M. C. Ribeiro da; Marques, Marta C. F.; Sousa, Emanuel A.; Castiñeiras, Jorge P. et al.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical and Theoretical Study of Some Quinoxaline 1,4-Dioxides and of Pyrazine 1,4-Dioxide
Article on a thermochemical and theoretical study of some quinoxaline 1,4-dioxides and of pyrazine 1,4-dioxide.
Date:
May 30, 1997
Creator:
Acree, William E. (William Eugene); Powell, Joyce R.; Tucker, Sheryl A. (Sheryl Ann); Silva, Maria D. M. C. Ribeiro da; Matos, M. Agostinha R.; Gonçalves, Jorge M. et al.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Excess Properties of Multicomponent Systems: Representation and Estimation from Binary Mixing Data
Article on the thermochemical excess properties of multicomponent systems and representation and estimation from binary mixing data.
Date:
May 1, 1983
Creator:
Bertrand, Gary L.; Acree, William E. (William Eugene) & Burchfield, Thomas E.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Associated Solutions: 4. Calculation of Carbazole-Dibutyl Ether Association Constants from Measured Solubility in Binary Solvent Mixtures
Article on thermochemical investigations of associated solutions and calculation of carbazole-dibutyl ether association constants from measured solubility in binary solvent mixtures.
Date:
July 1, 1987
Creator:
McCargar, James W.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Associated Solutions: 5. Calculation of Solute-Solvent Equilibrium Constants from Solubility in Mixtures Containing Two Complexing Solvents
Article on thermochemical investigations of associated solutions and the calculation of solute-solvent equilibrium constants from solubility in mixtures containing two complexing solvents.
Date:
July 1, 1987
Creator:
Acree, William E. (William Eugene) & McCargar, James W.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Associated Solutions: Calculation of Solute-Solvent Equilibrium Constants from Solubility Measurements
Article on thermochemical investigations of associated solutions and the calculation of solute-solvent equilibrium constants from solubility measurements.
Date:
August 1, 1983
Creator:
Acree, William E. (William Eugene); McHan, Danny R. & Rytting, J. Howard
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Associated Solutions. Part 11. Calculation of Pyrene-Dichlorobutane Association Parameters from Measured Solubility Data
Article discussing thermochemical investigations of associated solutions and the calculation of pyrene-dichlorobutane association parameters from measured solubility data.
Date:
1990
Creator:
Acree, William E. (William Eugene); Tucker, Sheryl A. (Sheryl Ann) & Zvaigzne, Anita I.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Associated Solutions. Part 14. Calculation of Anthracene-Butyl Acetate Association Parameters from Measured Solubility Data
Article discussing thermochemical investigations of associated solutions and the calculation of anthracene-butyl acetate association parameters from measured solubility data.
Date:
1991
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Gas-Liquid Chromatography. Partition Coefficients of Inert Solutes on Self-Associating Binary Solvent Mixtures
Article on thermochemical investigations of gas-liquid chromatography and partition coefficients of inert solutes on self-associating binary solvent mixtures.
Date:
April 1982
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents. 3. Solubility in Systems of Nonspecific Interactions
Article on thermochemical investigations of nearly ideal binary solvents and the solubility in systems of nonspecific interactions.
Date:
June 1977
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents. 4. Gas-Liquid Partition Coefficients in Complexing and Noncomplexing Systems
Article discussing thermochemical investigations of nearly ideal binary solves and gas-liquid partition coefficients in complexing and noncomplexing systems.
Date:
September 1979
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents. 6. Solubilities of Iodine and Benzil in Systems of Nonspecific Interactions
Article on thermochemical investigations of nearly ideal binary solvents and the solubilities of iodine and benzil in systems of nonspecific interactions.
Date:
February 1, 1983
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents 7: Monomer and Dimer Models for Solubility of Benzoic Acid in Simple Binary and Ternary Solvents
Article on thermochemical investigations of nearly ideal binary solvents and monomer and dimer models for solubility of benzoic acid in simple binary and ternary solvents.
Date:
September 1, 1981
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Solute Transfer into Ionic Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions
Article on thermochemical investigations of solute transfer into ionic liquid solvents and updated Abraham model equation coefficients for solute activity coefficient and partition coefficient predictions.
Date:
February 25, 2014
Creator:
Stephens, Timothy W.; Chou, Vicky; Quay, Amanda N.; Shen, Connie; Dabadge, Nishu; Tian, Amy et al.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Properties of 4-N,N-Dialkylamino-7-Nitrobenzofurazan Derivatives (Alkyl = Methyl, Ethyl)
Article discussing the thermochemical properties of 4-N,N-dialkylamino-7-nitrobenzofurazan derivatives (alkyl = methyl, ethyl).
Date:
June 2014
Creator:
Santos, Ana Filipa Lima Osório de Magalhães; Silva, Ana L. R.; Santiago, Otília D. F.; Gonçalves, Jorge M.; Pandey, Siddharth; Acree, William E. (William Eugene) et al.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical studies on 3-methylquinoxaline-2-carboxamide 1,4-dioxide derivatives: enthalpies of formation and of (N-O) bond dissociation
Article discussing thermochemical studies on 3-methyl-quinoxaline-2-carboxamide-1,4-dioxide derivatives and enthalpies of formation and of N-O bond dissociation.
Date:
February 3, 2007
Creator:
Gomes, José R. B.; Sousa, Emanuel A.; Gomes, Paula; Vale, Nuno; Gonçalves, Jorge M.; Pandey, Siddharth et al.
Object Type:
Article
System:
The UNT Digital Library