States

An ab Initio Study of Sulfinic Acid and Related Species (open access)

An ab Initio Study of Sulfinic Acid and Related Species

Article on an ab initio study of sulfinic acid and related species.
Date: March 1, 1992
Creator: Laakso, Dianna & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Acid-Base Indicators: Transition Colours and pH Ranges Determined in Select Aqueous-Organic Mixed Solvents (open access)

Acid-Base Indicators: Transition Colours and pH Ranges Determined in Select Aqueous-Organic Mixed Solvents

Article on acid-base indicators and transition colours and pH ranges determined in select aqueous-organic mixed solvents.
Date: March 28, 1995
Creator: Tucker, Sheryl A. (Sheryl Ann); Bates, Heather C. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation (open access)

Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation

This article discusses the use of neutron diffraction and molecular simulations to investigate the framework expansion behaviour and the accessibility of the small pockets to N₂, O₂, and CO₂.
Date: March 9, 2017
Creator: Moghadam, Peyman Z.; Ivy, Joshua F.; Arvapally, Ravi K.; dos Santos, Antonio M.; Pearson, John C.; Zhang, Li et al.
Object Type: Article
System: The UNT Digital Library
Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe₃(CO)₇(μ-edt)₂] and Phosphine Derivatives [Fe₃(CO)₇−ₓ(PPh₃)ₓ(μ-edt)₂] (x = 1, 2) and [Fe₃(CO)₅(κ²‑diphosphine)(μ- edt)₂] as Proton Reduction Catalysts (open access)

Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe₃(CO)₇(μ-edt)₂] and Phosphine Derivatives [Fe₃(CO)₇−ₓ(PPh₃)ₓ(μ-edt)₂] (x = 1, 2) and [Fe₃(CO)₅(κ²‑diphosphine)(μ- edt)₂] as Proton Reduction Catalysts

This article describes the preparation and structural characterization of the mixed-valence triiron complexes.
Date: July 15, 2013
Creator: Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E. et al.
Object Type: Article
System: The UNT Digital Library
The Biological and Toxicological Activity of Gases and Vapors (open access)

The Biological and Toxicological Activity of Gases and Vapors

Article discussing research on the biological and toxicological activity of gases and vapors.
Date: March 2010
Creator: Abraham, M. H. (Michael H.); Sánchez-Moreno, Ricardo; Gil-Lostes, Javier; Acree, William E. (William Eugene); Cometto-Muñiz, J. Enrique & Cain, William S.
Object Type: Article
System: The UNT Digital Library
Carbon Dioxide Migration Pathways in Proteins (open access)

Carbon Dioxide Migration Pathways in Proteins

Article discussing research on carbon dioxide migration pathways in proteins.
Date: March 4, 2012
Creator: Drummond, Michael L.; Wilson, Angela K. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Comment on "Measurement and Correlation of Solubilities of (Z)-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid in Different Pure Solvents and Binary Mixtures of Water + (Ethanol, Methanol, or Glycol)" (open access)

Comment on "Measurement and Correlation of Solubilities of (Z)-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid in Different Pure Solvents and Binary Mixtures of Water + (Ethanol, Methanol, or Glycol)"

Article commenting on an article titled, "Measurement and correlation of solubilities of (Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetic acid in different pure solvents and binary mixtures of water + (ethanol, methanol, or glycol)," published in March 2011.
Date: March 7, 2012
Creator: Jouyban, Abolghasem; Fakhree, Mohammad Amin Abolghassemi & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Comments on "Role of Anions (Tetrafluoroborate, Perchlorate) of Tetrabutylammonium Salts in Determining Solvation Effects Prevailing in Industrially Essential Solvents Probed by Conductance and FT-IR Spectra" (open access)

Comments on "Role of Anions (Tetrafluoroborate, Perchlorate) of Tetrabutylammonium Salts in Determining Solvation Effects Prevailing in Industrially Essential Solvents Probed by Conductance and FT-IR Spectra"

Article commenting on "Role of Anions (tetrafluoroborate, perchlorate) of tetrabutylammonium salts in determining solvation effects prevailing in industrially essential solvents probed by conductance and FT-IR spectra.
Date: March 7, 2014
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine (open access)

Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Date: April 12, 2005
Creator: Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Object Type: Patent
System: The UNT Digital Library
Computational studies of the reactions of CH3I with H and OH (open access)

Computational studies of the reactions of CH3I with H and OH

Article on computational studies of the reactions of CH3I with H and OH.
Date: March 26, 1998
Creator: Marshall, Paul; Misra, Ashutosh & Berry, Rajiv
Object Type: Article
System: The UNT Digital Library
Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution (open access)

Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution

This article discusses a computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution.
Date: March 8, 2000
Creator: Cundari, Thomas R., 1964-; Kurtz, Henry A. & Zhou, Tie
Object Type: Article
System: The UNT Digital Library
Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes (open access)

Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes

Article discussing preparation and characterization of Ru(II) complexes.
Date: March 27, 2012
Creator: Joslin, Evan E.; McMullin, Claire L.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Sabat, Michal & Myers, William H.
Object Type: Article
System: The UNT Digital Library
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods (open access)

The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods

Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.
Date: March 17, 2006
Creator: DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge (open access)

Determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge

Article on the determination of Abraham model solute descriptors for the monomeric and dimeric forms of trans-cinnamic acid using measured solubilities from the Open Notebook Science Challenge.
Date: March 22, 2015
Creator: Bradley, Jean-Claude; Abraham, M. H. (Michael H.); Acree, William E. (William Eugene); Lang, Andrew S. I. D.; Beck, Samantha N.; Bulger, David A. et al.
Object Type: Article
System: The UNT Digital Library
Discharge-Flow/Chemiluminescence and Flash-Photolysis/Resonance Fluorescence Studies of the Reaction O + SiH4 at Room Temperature (open access)

Discharge-Flow/Chemiluminescence and Flash-Photolysis/Resonance Fluorescence Studies of the Reaction O + SiH4 at Room Temperature

Article on discharge-flow/chemiluminescence and flash-photolysis/resonance fluorescence studies of the reaction O + SiH4 at room temperature.
Date: March 1, 1993
Creator: Taylor, Craig A.; Ding, Luying & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Dynamic Conductance of Carbon Nanotubes (open access)

Dynamic Conductance of Carbon Nanotubes

Article on dynamic conductance of carbon nanotubes.
Date: March 27, 2000
Creator: Roland, Christopher; Buongiorno Nardelli, Marco; Wang, Jian & Guo, Hong
Object Type: Article
System: The UNT Digital Library
First-Principles Theory of Correlated Transport through Nanojunctions (open access)

First-Principles Theory of Correlated Transport through Nanojunctions

Article on the first-principles theory of correlated transport through nanojunctions.
Date: March 25, 2005
Creator: Ferretti, A.; Calzolari, Arrigo; Di Felice, R.; Manghi, F.; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
Object Type: Article
System: The UNT Digital Library
Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels (open access)

Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels

Article on fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels.
Date: March 21, 2012
Creator: Lucassen, Arnas; Warkentin, Julia; Moshammer, Kai; Glarborg, Peter; Marshall, Paul & Kohse-Höinghaus, Katharina
Object Type: Article
System: The UNT Digital Library
Halogen Bonds: Benchmarks and Theoretical Analysis (open access)

Halogen Bonds: Benchmarks and Theoretical Analysis

This article describes an extensive survey of wave function and DFT methods to test their accuracy on geometries and dissociation energies of halogen bonds.
Date: March 1, 2013
Creator: Kozuch, Sebastian & Martin, Jan M. L.
Object Type: Article
System: The UNT Digital Library
High-Temperature Kinetics of the Reaction between Chlorine Atoms and Hydrogen Sulfide (open access)

High-Temperature Kinetics of the Reaction between Chlorine Atoms and Hydrogen Sulfide

Article on high-temperature kinetics of the reaction between chlorine atoms and hydrogen sulfide.
Date: March 16, 2015
Creator: Gao, Yide; Alecu, I. M.; Goumri, Abdellatif & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
High-Temperature Photochemistry Kinetics Studies of the Reactions of H(1²S) and D(1²S) with N₂O (open access)

High-Temperature Photochemistry Kinetics Studies of the Reactions of H(1²S) and D(1²S) with N₂O

Article on high-temperature photochemistry kinetics studies of the reactions of hydrogen atom(1²S) and deuterium atom (1²S) with nitrous oxide.
Date: March 1, 1989
Creator: Marshall, Paul; Ko, Taecho & Fontijn, A. (Arthur)
Object Type: Article
System: The UNT Digital Library
A High-Temperature Photochemistry Kinetics Study of the Reaction of O(³P) Atoms with Ethylene from 290 to 1510 K (open access)

A High-Temperature Photochemistry Kinetics Study of the Reaction of O(³P) Atoms with Ethylene from 290 to 1510 K

Article on a high-temperature photochemistry kinetics study of the reaction of oxygen(³P) atoms with ethylene from 290 to 1510 K.
Date: March 1, 1987
Creator: Mahmud, Khaled; Marshall, Paul & Fontijn, A. (Arthur)
Object Type: Article
System: The UNT Digital Library
The hydrogen bond properties of water from 273 K to 573 K; equations for the prediction of gas-water partition coefficients (open access)

The hydrogen bond properties of water from 273 K to 573 K; equations for the prediction of gas-water partition coefficients

Article on the hydrogen bond properties of water from 273 K to 573 K and equations for the prediction of gas-water partition coefficients.
Date: March 29, 2012
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
An Investigation of the Gas-Phase Reaction of Atomic Bromine with Disilane: Implications for the Si2H5-H Bond Strength (open access)

An Investigation of the Gas-Phase Reaction of Atomic Bromine with Disilane: Implications for the Si2H5-H Bond Strength

Article on an investigation of the gas-phase reaction of atomic bromine with disilane and implications for the Si2H5-H bond strength.
Date: March 19, 1993
Creator: Goumri, Abdellatif; Yuan, W. J.; Ding, Luying & Marshall, Paul
Object Type: Article
System: The UNT Digital Library