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  Partner: UNT College of Arts and Sciences
 Collection: UNT Scholarly Works
Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution

Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution

Date: March 8, 2000
Creator: Cundari, Thomas R., 1964-; Kurtz, Henry A. & Zhou, Tie
Description: This article discusses a computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution.
Contributing Partner: UNT College of Arts and Sciences
Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity

Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity

Date: December 20, 2011
Creator: Figg, Travis M.; Webb, Joanna R.; Cundari, Thomas R., 1964- & Gunnoe, T. Brent
Description: Article discussing a computational study on the impact of metal identity and carbon-oxygen bond formation via organometallic Baeyer-Villiger transformations.
Contributing Partner: UNT College of Arts and Sciences
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

Date: June 2, 2009
Creator: Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Description: This article discusses the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Contributing Partner: UNT College of Arts and Sciences
Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects

Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects

Date: April 4, 1998
Creator: Cundari, Thomas R., 1964-; Kurtz, Henry A. & Zhou, Tie
Description: Article discussing modeling nonlinear optical properties of transition metal complexes and the basis set, effective core potential, and geometry effects.
Contributing Partner: UNT College of Arts and Sciences
Methane Activation by Group IVB Imido Complexes

Methane Activation by Group IVB Imido Complexes

Date: 1992
Creator: Cundari, Thomas R., 1964-
Description: Article discussing an ab initio study of methane activation by group IVB imido complexes.
Contributing Partner: UNT College of Arts and Sciences
C-H Functionalization Reactivity of a Nickel-Imide

C-H Functionalization Reactivity of a Nickel-Imide

Date: May 22, 2012
Creator: Wiese, Stefan; McAfee, Jason L.; Pahls, Dale R.; McMullin, Claire L.; Cundari, Thomas R., 1964- & Warren, Timothy H.
Description: This article discusses C-H functionalization reactivity of a Nickel-Imide.
Contributing Partner: UNT College of Arts and Sciences
Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds

Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds

Date: August 19, 2009
Creator: Harrold, Nicole D.; Waterman, Rory; Hillhouse, Gregory L. & Cundari, Thomas R., 1964-
Description: This article discusses group-transfer reactions of nickel-carbene and -nitrene complexes with organoazides and nitrous oxide that form new C=N, C=O, and N=N bonds.
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: Article discussing the performance of density functional theory for 3d transition metal-containing complexes and the utilization of the correlation consistent basis sets.
Contributing Partner: UNT College of Arts and Sciences
Food Habits and Racial Thinking

Food Habits and Racial Thinking

Date: October 24, 2012
Creator: Wallach, Jennifer Jensen, 1974-
Description: This presentation is part of the faculty lecture series UNT Speaks Out on The Food We Eat. In this presentation, the author discusses race and food habits.
Contributing Partner: UNT College of Arts and Sciences
Rediscovery of the Elements: Agricola

Rediscovery of the Elements: Agricola

Date: Autumn 2005
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Article describing the career and discoveries of Georgius Agricola. Tourist information regarding locations important to his life are visited and discussed.
Contributing Partner: UNT College of Arts and Sciences