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  Partner: UNT College of Arts and Sciences
 Decade: 2000-2009
Partition of compounds from water and from air into amides

Partition of compounds from water and from air into amides

Date: 2009
Creator: Abraham, M. H. (Michael H.); Acree, William E. (William Eugene) & Cometto-Muñiz, J. Enrique
Description: Article on the partition of compounds from water and from air into amides.
Contributing Partner: UNT College of Arts and Sciences
Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets

Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets

Date: July 2, 2009
Creator: Tekarli, Sammer M.; Drummond, Michael L.; Williams, T. Gavin; Cundari, Thomas R., 1964- & Wilson, Angela K.
Description: This article discusses the performance of density functional theory for 3d transition metal-containing complexes. The performance of 44 density functionals used in conjunction with the correlation consistent basis sets (ccpVnZ where n = T and Q) has been assessed for the gas-phase enthalpies of formation at 298.15 K of 3d transition metal (TM) containing systems.
Contributing Partner: UNT College of Arts and Sciences
Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory

Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory

Date: October 19, 2007
Creator: Grimes, Thomas V.; Wilson, Angela K.; DeYonker, Nathan J. & Cundari, Thomas R., 1964-
Description: This article discusses performance of the correlation consistent composite approach for transition states.
Contributing Partner: UNT College of Arts and Sciences
Phase Change Enthalpies and Entropies of Liquid Crystals

Phase Change Enthalpies and Entropies of Liquid Crystals

Date: July 17, 2006
Creator: Acree, William E. (William Eugene) & Chickos, James S.
Description: Article on phase change enthalpies and entropies of liquid crystals.
Contributing Partner: UNT College of Arts and Sciences
Phase Equilibria in High Energy Density PVDF-Based Polymers

Phase Equilibria in High Energy Density PVDF-Based Polymers

Date: July 27, 2007
Creator: Ranjan, Vivek; Yu, Liping; Buongiorno Nardelli, Marco & Bernholc, Jerry
Description: Article on phase equilibria in high energy density PVDF-based polymers.
Contributing Partner: UNT College of Arts and Sciences
Power-Law Time Distribution of Large Earthquakes

Power-Law Time Distribution of Large Earthquakes

Date: May 2003
Creator: Mega, Mirko S.; Allegrini, Paolo; Grigolini, Paolo; Latora, Vito; Palatella, Luigi; Rapisarda, Andrea et al.
Description: In this article, the authors study the statistical properties of time distribution of seismicity in California by means of a new method of analysis, the diffusion entropy. The authors find that the distribution of time intervals between a large earthquake (the main shock of a given seismic sequence) and the next one does not obey Poisson statistics, as assumed by the current models. The authors prove that this distribution is an inverse power law with an exponent μ = 2.06 ± 0.01. The authors propose the long-range model, reproducing the main properties of the diffusion entropy and describing the seismic triggering mechanisms induced by large earthquakes.
Contributing Partner: UNT College of Arts and Sciences
Power spectra for both interrupted and perennial aging processes

Power spectra for both interrupted and perennial aging processes

Date: November 10, 2008
Creator: Lukovic, Mirko & Grigolini, Paolo
Description: Article on power spectra for both interrupted and perennial aging processes.
Contributing Partner: UNT College of Arts and Sciences
Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models

Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models

Date: August 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
Description: Article on predicting the solubility of anthracene in non-aqueous solvent mixtures using a combination of Jouyban-Acree and Abraham models.
Contributing Partner: UNT College of Arts and Sciences
A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites

A Priori Assessment of the Stereoelectronic Profile of Phosphines and Phosphites

Date: March 15, 2003
Creator: Cooney, Katharine D.; Cundari, Thomas R., 1964-; Hoffman, Norris W.; Pittard, Karl A.; Temple, M. Danielle & Zhao, Yong
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Projecting on Polynomial Dirac Spinors

Projecting on Polynomial Dirac Spinors

Date: June 2006
Creator: Anghel, Nicolae
Description: In this paper, the authors adapt Axler and Ramey's method of constructing the harmonic part of a homogeneous polynomial to the Fischer decomposition associated to Dirac operators acting on polynomial spinors.
Contributing Partner: UNT College of Arts and Sciences