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  Partner: UNT College of Arts and Sciences
 Collection: UNT Scholarly Works
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods

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

Date: March 17, 2006
Creator: DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Description: Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.
Contributing Partner: UNT College of Arts and Sciences
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

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

Date: November 27, 2007
Creator: DeYonker, Nathan J.; Foley, Nicholas A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Description: 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].
Contributing Partner: UNT College of Arts and Sciences
The correlation-consistent composite approach: Application to the G3/99 test set

The correlation-consistent composite approach: Application to the G3/99 test set

Date: September 13, 2006
Creator: DeYonker, Nathan J.; Grimes, Thomas V.; Yockel, Scott; Dinescu, Adriana; Mintz, Benjamin; Cundari, Thomas R., 1964- et al.
Description: Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Contributing Partner: UNT College of Arts and Sciences
Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach

Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach

Date: October 3, 2007
Creator: DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules

Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules

Date: January 19, 2008
Creator: DeYonker, Nathan J.; Mintz, Benjamin; Cundari, Thomas R., 1964- & Wilson, Angela K.
Description: Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.
Contributing Partner: UNT College of Arts and Sciences
Quantitative Computational Thermochemistry of Transition Metal Species

Quantitative Computational Thermochemistry of Transition Metal Species

Date: May 15, 2007
Creator: DeYonker, Nathan J.; Peterson, Kirk A.; Steyl, Gideon; Wilson, Angela K. & Cundari, Thomas R., 1964-
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Solubility of Pyrene in Ternary Alcohol + Cyclohexane + Heptane Solvent Mixtures at 299.15 K

Solubility of Pyrene in Ternary Alcohol + Cyclohexane + Heptane Solvent Mixtures at 299.15 K

Date: August 11, 2001
Creator: Debase, Ebun M. & Acree, William E. (William Eugene)
Description: Article on the solubility of pyrene in ternary alcohol + cyclohexane + heptane solvent mixtures at 299.15 K.
Contributing Partner: UNT College of Arts and Sciences
Solubility of Pyrene in Ternary Propanol + Butanol + 2,2,4-Trimethylpentane Solvent Mixtures at 299.15 K

Solubility of Pyrene in Ternary Propanol + Butanol + 2,2,4-Trimethylpentane Solvent Mixtures at 299.15 K

Date: August 31, 2001
Creator: Debase, Ebun M. & Acree, William E. (William Eugene)
Description: Article on the solubility of pyrene in ternary propanol + butanol + 2,2,4-trimethylpentane solvent mixtures at 299.15 K.
Contributing Partner: UNT College of Arts and Sciences
Solubility of Pyrene in Ternary Propanol + Butanol + Cyclohexane Solvent Mixtures at 299.15 K

Solubility of Pyrene in Ternary Propanol + Butanol + Cyclohexane Solvent Mixtures at 299.15 K

Date: July 12, 2001
Creator: Debase, Ebun M. & Acree, William E. (William Eugene)
Description: Solubility of pyrene in ternary propanol + butanol + cyclohexane solvent mixtures at 299.15 K.
Contributing Partner: UNT College of Arts and Sciences
A Noninferiority Trial of a Problem-Solving Intervention for Hospice Caregivers: In Person versus Videophone

A Noninferiority Trial of a Problem-Solving Intervention for Hospice Caregivers: In Person versus Videophone

Date: 2012
Creator: Demiris, George
Description: Article discussing in person versus videophone and a noninferiority trial of a problem-solving intervention for hospice caregivers.
Contributing Partner: UNT College of Arts and Sciences