Resource Type
Collection
Serial/Series Title
Degree Department
Country
39 Matching Results
Results open in a new window/tab.
Results:
1 - 24 of
39
next
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅
Article on studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅.
Date:
February 7, 2007
Creator:
Alecu, I. M.; Gao, Yide; Hsieh, P-C; Sand, Jordan P.; Ors, Ahmet; McLeod, A. et al.
Object Type:
Article
System:
The UNT Digital Library
Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1
This article discusses strong tantalum-to-boron dative interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1.
Date:
January 24, 2007
Creator:
Bonanno, Jeffrey B.; Henry, Thomas P.; Wolczanski, Peter T.; Pierpont, Aaron W. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Method of Making Integrated Circuits Using Ruthenium and its Oxides as a Cu Diffusion Barrier
Patent relating to a method of making integrated circuits using ruthenium and its oxides as a Cu diffusion barrier.
Date:
June 20, 2003
Creator:
Chyan, Oliver M. R. & Ponnuswamy, Thomas
Object Type:
Patent
System:
The UNT Digital Library
Solubility of Anthracene in Binary Diisopropyl Ether + Alcohol Solvent Mixtures at 298.15 K
Article on the solubility of anthracene in binary diisopropyl ether + alcohol solvent mixtures at 298.15 K.
Date:
February 23, 2007
Creator:
Corella, Monica; Wolcott, Kimberle; Carrillo, Miranda & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Metal ion-molecule kinetics at combustion temperatures. The reaction of Ca+ with O2
Article on metal ion-molecule kinetics at combustion temperatures and the reaction of Ca+ with O2.
Date:
January 1, 2007
Creator:
Cosic, Biljana; Ermoline, Alexandre; Fontijn, A. (Arthur) & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study
Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Date:
October 6, 2007
Creator:
Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
Object Type:
Article
System:
The UNT Digital Library
Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ruthenium(II) Complexes: Evidence for σ-Bond Metathesis from Hammett Studies
Article discussing combined experimental and computational studies on the nature of aromatic C-H activation by octahedral ruthenium(II) complexes of the type TpRu(L)(NCMe)R [Tp = hydridotris(pyrazolyl)borate; R = alkyl or aryl; L = CO or PMe3].
Date:
November 27, 2007
Creator:
DeYonker, Nathan J.; Foley, Nicholas A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach
Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
Date:
October 3, 2007
Creator:
DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-
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
Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins
This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).
Date:
October 4, 2007
Creator:
Foley, Nicholas A.; Lail, Marty; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Boyle, Paul D. & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene
Article discussing research on the comparative reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3) and the impact of ancillary ligand L on activation of carbon-hydrogen bonds including catalytic hydroarylation and hyrdovinylation/oligomerization of ethylene.
Date:
May 9, 2007
Creator:
Foley, Nicholas A.; Lail, Marty; Lee, John P.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
Kinetics and Thermochemistry of the Addition of Atomic Chlorine to Acetylene
Article on the kinetics and thermochemistry of the addition of atomic chlorine to acetylene.
Date:
January 1, 2007
Creator:
Gao, Yide; Alecu, I. M.; Hsieh, P-C; McLeod, A.; McLeod, Chris; Jones, Maxwell et al.
Object Type:
Article
System:
The UNT Digital Library
Supporting Information: Thermochemical studies on 3-methylquinoxaline-2-carboxamide 1,4-dioxide derivatives: enthalpies of formation and of (N-O) bond dissociation
This document includes supplemental material to an article titled "Thermochemical studies on 3-methylquinoxaline-2-carboxamide 1,4-dioxide derivatives: enthalpies of formation and of (N-O) bond dissociation," published in the Journal of Physical Chemistry B.
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:
Text
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
Experimental Thermochemical Study of 6-Chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines
Access:
Use of this item is restricted to the UNT Community
Article discussing an experimental thermochemical study of 6-chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines.
Date:
September 13, 2007
Creator:
Gomes, José R. B.; Vieira, Mónica A. A.; Stovall, Dawn M.; Acree, William E. (William Eugene) & Silva, Maria D. M. C. Ribeiro da
Object Type:
Article
System:
The UNT Digital Library
Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory
This article discusses performance of the correlation consistent composite approach for transition states.
Date:
October 19, 2007
Creator:
Grimes, Thomas V.; Wilson, Angela K.; DeYonker, Nathan J. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
An exploratory study of alkali sulfate aerosol formation during biomass combustion
Article on an exploratory study of alkali sulfate aerosol formation during biomass combustion.
Date:
September 25, 2007
Creator:
Hindiyarti, Lusi; Frandsen, Flemming; Livbjerg, Hans; Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions
Article on reactions of SO₃ with the O/H radical pool under combustion conditions.
Date:
March 9, 2007
Creator:
Hindiyarti, Lusi; Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model
Article on the prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model.
Date:
December 26, 2007
Creator:
Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Catalytic Synthesis of Arylisocyanates from Nitroaromatics. A Computational Study
Article discussing a computational study on the catalytic synthesis of arylisocyanates from nitroaromatics.
Date:
January 10, 2007
Creator:
Kazi, Abul B.; Cundari, Thomas R., 1964-; Baba, Eduard; DeYonker, Nathan J.; Dinescu, Adriana & Spaine, Lloyd
Object Type:
Article
System:
The UNT Digital Library
Rediscovery of the Elements: Johann Wolfgang Döbereiner
Article describing the life of Johann Wolfgang Döbereiner and his attempts to systematically organize the elements. Tourist information regarding locations significant to his history is included.
Date:
Autumn 2007
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Rediscovery of the Elements: Jöns Jakob Berzelius
Article describing the life and career of Jöns Jakob Berzelius. Tourist information regarding locations significant to his history is included.
Date:
Winter 2007
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Rediscovery of the Elements: The Periodic Table
Article recounting the history of the development of the Periodic Table. Sites pertinent to this development were visited by the authors, who provide related tourist information.
Date:
Summer 2007
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Rediscovery of the Elements: The Road to Karlsruhe
Article describing the history of atomic weight and the events leading up to the Karlsruhe Congress of chemists. The authors visited several sites pertinent to these events and offer tourist information.
Date:
Spring 2007
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library