Resource Type
Partner
Collection
Serial/Series Title
Degree Department
43 Matching Results
Results open in a new window/tab.
Results:
1 - 24 of
43
next
Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?
Article on ad-dimers on strained carbon nano-tubes.
Date:
November 15, 1999
Creator:
Orlikowski, Daniel; Buongiorno Nardelli, Marco; Bernholc, Jerry & Roland, Christopher
Object Type:
Article
System:
The UNT Digital Library
Supporting Material for: Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model
This document includes supporting material for an article titled, "Enthalpy of solvation correlations for gaseous solutes dissolved in water and in 1-octanol based on the Abraham model," published in the Journal of Chemical Information and Modeling.
Date:
December 15, 2007
Creator:
Mintz, Christina; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Text
System:
The UNT Digital Library
Simultaneous Direct Holographic Fabrication of Photonic Cavity and Graded Photonic Lattice With Dual Periodicity, Dual Basis, and Dual Symmetry
This article demonstrates the digital, holographic fabrication of graded, super-basis photonic lattices with dual periodicity, dual basis, and dual symmetry.
Date:
June 15, 2017
Creator:
Lowell, David; Lutkenhaus, Jeffrey; George, David; Philipose, Usha; Chen, Banglin & Lin, Yuankun
Object Type:
Article
System:
The UNT Digital Library
Reactions of TpRu(CO) (NCMe) (Me) (Tp = Hydridotris(pyrazolyl)borate) with Heteroaromatic Substrates: Stoichiometric and Catalytic C-H Activation
Article discussing reactions of TpRu(CO)(NCMe)(Me) (Tp = Hydridotris(pyrazolyl)borate) with heteroaromatic substrates and stoichiometric and catalytic C-H activation.
Date:
October 15, 2004
Creator:
Pittard, Karl A.; Lee, John P.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF
This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Date:
January 15, 2010
Creator:
Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Object Type:
Article
System:
The UNT Digital Library
IUPAC-NIST Solubility Data Series. 99. Solubility of Benzoic Acid and Substituted Benzoic Acids in Both Neat Organic Solvents and Organic Solvent Mixtures.
Article on the solubility of benzoic acid and substituted benzoic acids in both neat organic solvents and organic solvent mixtures.
Date:
May 15, 2013
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical
Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.
Date:
October 15, 2009
Creator:
Zhang, Xue; Datta, Ayan; Hrovat, David A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites
This article discusses research that has demonstrated the utility of a rigorously calibrated, molecular mechanics/semiempirical quantum mechanical protocol for developing stereoelectronic (Tolman) maps for phosphine ligands.
Date:
March 15, 2003
Creator:
Cooney, Katharine D.; Cundari, Thomas R., 1964-; Hoffman, Norris W.; Pittard, Karl A.; Temple, M. Danielle & Zhao, Yong
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary 1,4-Dioxane + Alcohol + 2,2,4-Trimethylpentane Solvent Mixtures at 298.15 K
Article on the solubility of anthracene in ternary 1,4-dioxane + alcohol + 2,2,4-trimethylpentane solvent mixtures at 298.15 K.
Date:
July 15, 2000
Creator:
Pribyla, Karen J.; Van, Tiffany T.; Ezell, Christopher & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Tris(hydroxymethyl)aminomethane in Water + Methanol + 1-Propanol Mixtures at Various Temperatures
Article on the solubility of tris(hydroxymethyl)aminomethane in water + methanol + 1-propanol mixtures at various temperatures.
Date:
July 15, 2015
Creator:
Jouyban-Gharamaleki, Vahid; Jouyban-Gharamaleki, Karim; Soleymani, Jafar; Acree, William E. (William Eugene); Kenndler, Ernst & Jouyban, Abolghasem
Object Type:
Article
System:
The UNT Digital Library
Deduction of physiochemical properties from solubilities: 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples
Article discussing the deduction of physiochemical properties from solubilities and 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples.
Date:
April 15, 2015
Creator:
Abraham, M. H. (Michael H.); Acree, William E. (William Eugene); Brumfield, Michela; Hart, Erin; Pipersburgh, Lila; Mateja, Katherine et al.
Object Type:
Article
System:
The UNT Digital Library
An ab initio study of the ionization of sodium superoxide
Article on an ab initio study of the ionization of sodium superoxide.
Date:
November 15, 1991
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
On the Solubility of Quercetin
Article discussing the solubility of quercetin. The authors have applied a methodology based on linear free energy equations for water-solvent and gas-solvent partitions to study solubilities.
Date:
May 15, 2014
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
A Computational Study of Adducts Between Atomic Chlorine and Carbon Dioxide, Carbonyl Sulfide and Carbon Disulfide
Article on a computational study of adducts between atomic chlorine and carbon dioxide, carbonyl sulfide and carbon disulfide.
Date:
November 15, 1991
Creator:
Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Molecularly Imprinted Polymer Based Extended-Gate Field-Effect Transistor Chemosensors for Phenylalanine Enantioselective Sensing
This article discusses the design and synthesis of molecularly imprinted polymers, guided by DFT calculations.
Date:
December 15, 2016
Creator:
Iskierko, Z.; Checinska, A.; Sharma, Piyush S.; Golebiewska, K.; Noworyta, K.; Borowicz, Pawet et al.
Object Type:
Article
System:
The UNT Digital Library
Solubility of Benzodiazepines in Polyethylene Glycol 200 + Water Mixtures at 303.2 K
Article discussing the solubility of benzodiazepines in polyethylene glycol 200 plus water mixtures at 303.2 K.
Date:
June 15, 2009
Creator:
Jouyban, Abolghasem; Shokri, Javad; Barzegar-Jalali, Mohammad; Hassanzadeh, Davoud; Acree, William E. (William Eugene); Ghafourian, Taravat et al.
Object Type:
Article
System:
The UNT Digital Library
Molybdenum and Tungsten Structural Differences are Dependent on ndz2/(n + 1)ѕ Mixing: Comparisons of (silox)3MX/R (M = Mo, W; silox = tBu3SiO)
Article discussing molybdenum and tungsten structural differences being dependent on ndz2/(n + 1)s mixing and a comparison of (silox)3MX/R (M = Mo, W; silox - tBu3SiO).
Date:
July 15, 2008
Creator:
Kuiper, David S.; Douthwalte, Richard E.; Mayoi, Ana-Rita; Wolczanski, Peter T.; Lobkovsky, Emil B.; Cundari, Thomas R., 1964- et al.
Object Type:
Article
System:
The UNT Digital Library
The reaction of O(³P) atoms with ethane: An HTP kinetics study from 300 to 1270 K
Article on the reaction of O(³P) atoms with ethane and an HTP kinetics study from 300 to 1270 K.
Date:
February 15, 1988
Creator:
Mahmud, Khaled; Marshall, Paul & Fontijn, A. (Arthur)
Object Type:
Article
System:
The UNT Digital Library
High-Temperature Photochemistry and BAC-MP4 Studies of the Reaction Between Ground-State H Atoms and N2O
Article on high-temperature photochemistry and BAC-MP4 studies of the reaction between ground-state H atoms and N2O.
Date:
May 15, 1987
Creator:
Marshall, Paul; Fontijn, A. (Arthur) & Melius, Carl F.
Object Type:
Article
System:
The UNT Digital Library
HTP kinetics studies of the reactions of O(2(3)Pj) atoms with H2 and D2 over wide temperature ranges
Article on HTP kinetics studies of the reaction of O(2(3)Pj) atoms with H2 and D2 over wide temperature ranges.
Date:
December 15, 1987
Creator:
Marshall, Paul & Fontijn, A. (Arthur)
Object Type:
Article
System:
The UNT Digital Library
Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model
Article on the enthalpy of solvation correlations for gaseous solutes dissolved in water and in 1-octanol based on the Abraham model.
Date:
December 15, 2007
Creator:
Mintz, Christina; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Quantitative Computational Thermochemistry of Transition Metal Species
This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
Date:
May 15, 2007
Creator:
DeYonker, Nathan J.; Peterson, Kirk A.; Steyl, Gideon; Wilson, Angela K. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Comments on "Retention of Ionizable Compounds on HPLC. pH Scale in Methanol-Water and the pK and pH Values of Buffers"
Article commenting on an article titled, "Retention of Ionizable Compounds on HPLC. pH Scale in Methanol-Water and the pK and pH Values of Buffers."
Date:
May 15, 1997
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Bifunctional activation of methane by bioinspired transition metal complexes. A simple methane protease model
Article modeling Metal-based bifunctional methane activators using density functional theory. The research yields insight into possible avenues for bio-inspired methane activators.
Date:
February 15, 2021
Creator:
Anderson, Mary E.; Marks, Michael B. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library