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  Partner: UNT College of Arts and Sciences
Small Molecule Elimination from Group IVB (Ti, Zr, Hf) Amido Complexes

Small Molecule Elimination from Group IVB (Ti, Zr, Hf) Amido Complexes

Date: May 1993
Creator: Cundari, Thomas R., 1964- & Gordon, Mark S.
Description: This article discusses small molecule elimination from group IVB (Ti, Zr, Hf) amido complexes. An ab initio quantum chemical analysis of HX (X = H, CH₃, Cl, NH₂, SiH₃) elimination by group IVB (Ti, Zr, Hf) amidos (H₂(X)M - NH₂ → H₂M = NH + HX), of interest in the context of CVD precursor design, is reported.
Contributing Partner: UNT College of Arts and Sciences
Simultaneous measurement of the average ion-induced electron emission yield and the mean charge for isotachic ions in carbon foils

Simultaneous measurement of the average ion-induced electron emission yield and the mean charge for isotachic ions in carbon foils

Date: February 1997
Creator: Arrale, A. M.; Zhao, Z. Y.; Kirchhoff, J. F.; Weathers, Duncan L.; McDaniel, Floyd Del. (Floyd Delbert), 1942- & Matteson, Samuel E.
Description: This article discusses simultaneous measurement of the average ion-induced electron emission yield and the mean charge for isotachic ions in carbon foils. Knowledge of the incident ion's atomic number (Z₁) dependence of ion-induced electron emission yields can be the basis for a general understanding of ion-atom interaction phenomena and, in particular, for the design of Z₁-sensitive detectors that could be useful, for example, in the separation of isobars in accelerator mass spectrometry.
Contributing Partner: UNT College of Arts and Sciences
Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex

Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex

Date: May 12, 2011
Creator: Cowley, Ryan E.; Eckert, Nathan A.; Vaddadi, Sridhar; Figg, Travis M.; Cundari, Thomas R., 1964- & Holland, Patrick L.
Description: This article discusses a mechanistic study of hydrogen atom transfer by an isolable iron (III) imido complex, LᴹᵉFeNAd (Lᴹᵉ = bulky β-diketiminate ligand, 2,4-bis(2,6-diisopropylphenylimido)pentyl; Ad = 1-adamantyl).
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
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF

Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF

Date: January 15, 2010
Creator: Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Description: 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).
Contributing Partner: UNT College of Arts and Sciences
Use of prior odds for missing persons identifications

Use of prior odds for missing persons identifications

Date: June 27, 2011
Creator: Budowle, Bruce; Ge, Jianye; Chakraborty, Ranajit & Gill-King, Harrell
Description: This article discusses the use of DNA typing, likelihood ratios, and prior odds for missing persons identifications.
Contributing Partner: UNT College of Arts and Sciences
The Use Of Societal Impacts Considerations In Grant Proposal Peer Review: A Comparison Of Five Models

The Use Of Societal Impacts Considerations In Grant Proposal Peer Review: A Comparison Of Five Models

Date: 2010
Creator: Holbrook, J. Britt
Description: This article discusses the use of societal impacts considerations in grant proposal peer review in scientific and technical research.
Contributing Partner: UNT College of Arts and Sciences
Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2

Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2

Date: February 19, 2009
Creator: Frazier, Brenda A.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Description: This article discusses unusual electronic features and reactivity of the dipyridylazaallyl ligand.
Contributing Partner: UNT College of Arts and Sciences
Dynamical approach to Lévy processes

Dynamical approach to Lévy processes

Date: November 1996
Creator: Allegrini, Paolo; Grigolini, Paolo & West, Bruce J.
Description: This article discusses a dynamical approach to Lévy processes, which makes it possible to derive all statistical properties of the diffusion process from the correlation function of the dichotomous fluctuating variable Φy(t).
Contributing Partner: UNT College of Arts and Sciences
Ecological theory and values in the determination of conservation goals: examples from temperate regions of Germany, United States of America, and Chile

Ecological theory and values in the determination of conservation goals: examples from temperate regions of Germany, United States of America, and Chile

Date: 2004
Creator: Jax, Kurt, 1958- & Rozzi, Ricardo, 1960-
Description: This article discusses ecological theory and values in the determination of conservation goals, as well as the interdisciplinary and interagency cooperation required for the success of conservation work.
Contributing Partner: UNT College of Arts and Sciences