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1,036 Matching Results
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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
Thermochemical Study of Three Hindered Pyridine Derivatives
Article discussing a thermochemical study of three hindered pyridine derivatives.
Date:
July 2, 2008
Creator:
Freitas, Vera L. S.; Acree, William E. (William Eugene) & Silva, Maria D. M. C. Ribeiro da
Object Type:
Article
System:
The UNT Digital Library
Thermochemistry is not a lower bound to the activation energy of endothermic reactions: A kinetic study of the gas-phase reaction of atomic chlorine with ammonia
Article on a kinetic study of the gas-phase reaction of atomic chlorine with ammonia.
Date:
March 9, 2006
Creator:
Gao, Yide; Alecu, I. M.; Hsieh, P-C; Morgan, Brad P.; Marshall, Paul & Krasnoperov, Lev N.
Object Type:
Article
System:
The UNT Digital Library
Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1, 4-dioxide. Evaluation of the mean dissociation enthalpy of the (N-O) bond
Article on the thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide and an evaluation of the mean dissociation enthalpy of the (N-O) bond.
Date:
August 10, 2004
Creator:
Silva, Maria D. M. C. Ribeiro da; Gomes, José R. B.; Gonçalves, Jorge M.; Sousa, Emanuel A.; Pandey, Siddharth & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane
Article on the thermochemistry of the ethyl radical and the C-H bond strength in ethane.
Date:
May 22, 1999
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
A Thermodynamic Model for Liquid-Liquid Chromatography with a Binary Mobile Phase
Article on a thermodynamic model for liquid-liquid chromatography with a binary mobile phase.
Date:
1981
Creator:
Acree, William E. (William Eugene) & Rytting, J. Howard
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Organic Compounds. 2. Combustion and Sublimation Enthalpies of 2,4,6-Trimethylbenzonitrile N-Oxide
Article discussing thermodynamic properties of organic compounds and combustion and sublimation enthalpies of 2,4,6-trimethylbenzonitrile N-oxide.
Date:
January 1992
Creator:
Acree, William E. (William Eugene); Simirsky, Vladimir V.; Kozyro, Alexander A.; Krasulin, Alexander P.; Kabo, Gennady J. & Frenkel, Michael L.
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Organic Compounds. 3. Sublimation Enthalpy and Heat Capacities of 2,4,6-Trimethylbenzonitrile N-oxide
Article discussing thermodynamic properties of organic compounds and sublimation enthalpy and heat capacities of 2,4,6-trimethylbenzonitrile N-oxide.
Date:
January 1993
Creator:
Acree, William E. (William Eugene); Sevruk, Viktor M.; Kozyro, Alexander A.; Krasulin, Alexander P.; Kabo, Gennady J. & Frenkel, Michael L.
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Quinoxaline-1,4-Dioxide Derivatives: A Combined Experimental and Computational Study
Article on thermodynamic properties of quinoxaline-1,4-dioxide derivatives and a combined experimental and computational study.
Date:
March 16, 2004
Creator:
Silva, Maria D. M. C. Ribeiro da; Gomes, José R. B.; Gonçalves, Jorge M.; Sousa, Emanuel A.; Pandey, Siddharth & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Ternary Non-electrolyte Solutions. Part 3.-Excess Molar Volumes of 2-Propanone-Tribromomethane-Alkane Mixtures
Article on thermodynamic properties of ternary non-electrolyte solutions and excess molar volumes of 2-propanone-tribromomethane-alkane mixtures.
Date:
1990
Creator:
Singh, Prem P.; Mallk, Renu; Maken, S. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Three Pyridine Carboxylic Acid Methyl Ester Isomers
This article discusses the thermodynamic properties of three pyridine carboxylic acid methyl ester isomers.
Date:
February 6, 2007
Creator:
Silva, Maria D. M. C. Ribeiro da; Freitas, Vera L. S.; Santos, Luís M. N. B. F.; Fulem, Michal; Sottomayor, M. J.; Monte, Manuel J. S. et al.
Object Type:
Article
System:
The UNT Digital Library
Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta)
Article discussing the thermodynamic, kinetic, and mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) rearrangements (silox = tBu3SiO; M = Nb, Ta).
Date:
March 10, 2005
Creator:
Hirsekorn, Kurt F.; Veige, Adam S.; Marshak, Michael P.; Koldobskaya, Yelena; Wolczanski, Peter T.; Cundari, Thomas R., 1964- et al.
Object Type:
Article
System:
The UNT Digital Library
Thermodynamics of mobile order theory
Article on the thermodynamics of mobile order theory.
Date:
1997
Creator:
Acree, William E. (William Eugene); Powell, Joyce R.; McHale, Mary E. R.; Pandey, Siddharth; Borders, Tammie L. & Campbell, Scott W.
Object Type:
Article
System:
The UNT Digital Library
Three Component Cascade Reaction of Cyclohexanones, Aryl Amines, and Benzoylmethylene Malonates: Cooperative Enamine-Brønsted Acid Approach to Tetrahydroindoles
Article discusses how a three-component cascade reaction comprising cyclic ketones, arylamines, and benzoylmethylene malonates has been developed to access 4,5,6,7-tetrahydro-1H-indoles. Furthermore, the reaction was achieved through cooperative enamine-Brønsted catalysis in high yields with wide substrate scopes.
Date:
November 30, 2022
Creator:
Vasquez, Jose Cortes; Alharbi, Waad S.; Davis, Jacqkis; Moore, Alexia; Nesterov, Vladimir N.; Cundari, Thomas R., 1964- et al.
Object Type:
Article
System:
The UNT Digital Library
Three-Coordinate Terminal Imidoiron(III) Complexes: Structure, Spectroscopy, and Mechanism of Formation
Article discussing three-coordinate terminal imidoiron(III) complexes and the structure, spectroscopy, and the mechanism of formation.
Date:
June 4, 2010
Creator:
Cowley, Ryan E.; DeYonker, Nathan J.; Eckert, Nathan A.; Cundari, Thomas R., 1964-; DeBeer, Serena 1973-; Bill, E. (Eckhard), 1953- et al.
Object Type:
Article
System:
The UNT Digital Library
Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes
Article on through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes.
Date:
September 24, 2010
Creator:
Lovitt, Charity Flener; Dong, Hao; Hrovat, David A.; Gleiter, Rolf & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields
This article presents Tinker-HP, a massively MPI parallel package dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable force fields (PFF) encompassing distributed multipoles electrostatics.
Date:
November 24, 2017
Creator:
Lagardère, Louis; Jolly, Luc-Henri; Lipparini, Filippo; Aviat, Félix; Stamm, Benjamin; Jing, Zhifeng F. et al.
Object Type:
Article
System:
The UNT Digital Library
Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study
This article uses plane-wave density functional theory calculations to investigate the direct amination of benzene catalyzed by a Ni(111) surface to explore the reaction intermediates and to understand the role of nickel in this reaction.
Date:
March 24, 2017
Creator:
Alsunaidi, Zainab H. A.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library