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162 Matching Results
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Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes
Article discussing principal resonance contributors to high-valent, transition-metal alkylidene complexes.
Date:
July 1991
Creator:
Cundari, Thomas R., 1964- & Gordon, Mark S.
System:
The UNT Digital Library
Methane Activation by Group IVB Imido Complexes
Article discussing an ab initio study of methane activation by group IVB imido complexes.
Date:
December 1992
Creator:
Cundari, Thomas R., 1964-
System:
The UNT Digital Library
Structural Dichotomy in Six-Coordinate d⁰ Complexes: Trigonal Prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and Octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M = Zr, Hf)
Article discussing structural dichotomy in six-coordinate d⁰ complexes and trigonal prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M ≡ Zr, Hf).
Date:
September 19, 1998
Creator:
Vaid, Thomas P.; Veige, Adam S.; Lobkovsky, Emil B.; Glassey, Wingfield V.; Wolczanski, Peter T.; Liable-Sands, Louise M. et al.
System:
The UNT Digital Library
Transition Metal Imido Complexes
Article discussing a wide range of transition metal imido (TMI) complexes using ab initio molecular orbital (MO) calculations.
Date:
September 1, 1992
Creator:
Cundari, Thomas R., 1964-
System:
The UNT Digital Library
An Effective Core Potential Study of Transition-Metal Chalcogenides. 1. Molecular Structure
This article discusses an effective core potential study of transition-metal chalcogenides O, S, Se, and Te.
Date:
May 1994
Creator:
Benson, Michael T.; Cundari, Thomas R., 1964-; Lim, Soon J.; Nguyen, Hoang D. & Pierce-Beaver, Karen
System:
The UNT Digital Library
High-Valent Transition-Metal Alkylidene Complexes: Effect of Ligand and Substituent Modification
Article on high-valent transition-metal alkylidene complexes and the effect of ligand and substituent modification.
Date:
1992
Creator:
Cundari, Thomas R., 1964- & Gordon, Mark S.
System:
The UNT Digital Library
Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes
Article discussing research on the calculation of methane C-H oxidative addition trajectory and a comparison to experiment and methane activation by high-valent complexes.
Date:
January 1994
Creator:
Cundari, Thomas R., 1964-
System:
The UNT Digital Library
Small Molecule Elimination from Group IVB (Ti, Zr, Hf) Amido Complexes
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.
Date:
May 1993
Creator:
Cundari, Thomas R., 1964- & Gordon, Mark S.
System:
The UNT Digital Library
Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects
Article discussing modeling nonlinear optical properties of transition metal complexes and the basis set, effective core potential, and geometry effects.
Date:
April 4, 1998
Creator:
Cundari, Thomas R., 1964-; Kurtz, Henry A. & Zhou, Tie
System:
The UNT Digital Library
Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods
This article discusses molecular modeling of vanadium-oxo complexes and a comparison of quantum and classical methods.
Date:
January 22, 1998
Creator:
Cundari, Thomas R., 1964-; Saunders, Leah & Sisterhen, Laura L.
System:
The UNT Digital Library
Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds
This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds.
Date:
August 7, 1997
Creator:
Cundari, Thomas R., 1964- & Raby, Philip D.
System:
The UNT Digital Library
Estimating Solid-Liquid Phase Change Enthalpies and Entropies
This article discusses estimating solid-liquid phase change enthalpies and entropies.
Date:
November 1999
Creator:
Chickos, James S.; Acree, William E. (William Eugene) & Liebman, Joel F.
System:
The UNT Digital Library
Comments on the Competitive Preferential Solvation Theory
Article commenting on the competitive preferential solvation theory.
Date:
1990
Creator:
Acree, William E. (William Eugene); Zvaigzne, Anita I. & Tucker, Sheryl A. (Sheryl Ann)
System:
The UNT Digital Library
Comment on "Margules Equations Applied to PAH Solubilities in Alcohol-Water Mixtures"
Article providing comment on "Margules Equations Applied to PAH Solubilities in Alcohol-Water Mixtures," published in 'Environmental Science & Technology," 1997.
Date:
April 19, 1999
Creator:
Jouyban, Abolghasem; Acree, William E. (William Eugene) & Clark, B. J.
System:
The UNT Digital Library
Solubility of Anthracene in Ternary Dibutyl Ether + Alcohol + 2,2,4-Trimethylpentane Solvent Mixtures
Article on the solubility of anthracene in ternary dibutyl ether + alcohol + 2,2,4-trimethylpentane solvent mixtures.
Date:
October 14, 1999
Creator:
Pribyla, Karen J.; Spurgin, Michael A.; Chuca, Ivette & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Brittle and Ductile Behavior in Carbon Nanotubes
Article discussing research on the response of carbon nanotubes to a tensile load.
Date:
November 23, 1998
Creator:
Buongiorno Nardelli, Marco; Yakobson, Boris I. & Bernholc, Jerry
System:
The UNT Digital Library
Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes
Article on lip-lip interactions and the growth of multiwalled carbon nanotubes.
Date:
January 12, 1998
Creator:
Buongiorno Nardelli, Marco; Brabec, Charles; Roland, Christopher & Bernholc, Jerry
System:
The UNT Digital Library
Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?
Article on ad-dimers on strained carbon nano-tubes.
Date:
November 15, 1999
Creator:
Orlikowski, Daniel; Buongiorno Nardelli, Marco; Bernholc, Jerry & Roland, Christopher
System:
The UNT Digital Library
Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide
Article on phonon softening and high-pressure low-symmetry phases of cesium iodide.
Date:
August 17, 1992
Creator:
Buongiorno Nardelli, Marco; Baroni, Stefano & Giannozzi, Paolo
System:
The UNT Digital Library
Effect of Solvent Polarity on the Fluorescence Emission Spectra of Select Five- and Six-Ring Pyrene Derivatives
Article on the effect of solvent polarity on the fluorescence emission spectra of select five- and six-ring pyrene derivatives.
Date:
August 1, 1990
Creator:
Acree, William E. (William Eugene); Zvaigzne, Anita I. & Fetzer, John C.
System:
The UNT Digital Library
Effect of Solvent Polarity and Acidity on Fluorescence Emission Fine Structures of Select Aza-Polynuclear Aromatics and Dibenzo[b,n]perylene Hetero-Atom Derivatives
Article on the effect of solvent polarity and acidity on fluorescence emission fine structures of select aza-polynuclear aromatics and dibenzo[b,n]perylene hetero-atom derivatives.
Date:
August 1, 1991
Creator:
Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene); Tanga, Mary J.; Fetzer, John Charles, 1953-; Tokita, Sumio; Hiruta, Kimihiro et al.
System:
The UNT Digital Library
Polycyclic Aromatic Hydrocarbon Solute Probes. Part VIII: Evaluation of Additional Naphthacene and Perylene Derivatives as Possible Solvent Polarity Probe Molecules
Article on polycyclic aromatic hydrocarbon solute probes and an evaluation of additional naphthacene and perylene derivatives as possible solvent polarity probe molecules.
Date:
February 1, 1991
Creator:
Tucker, Sheryl A. (Sheryl Ann); Teng, I.-Lih; Acree, William E. (William Eugene) & Fetzer, John Charles, 1953-
System:
The UNT Digital Library
Polycyclic Aromatic Nitrogen Heterocycles. Part II: Effect of Solvent Polarity on the Fluorescence Emission Fine Structure of Three Azapyrene Compounds
Article on polycyclic aromatic nitrogen heterocycles and the effect of solvent polarity on the fluorescence emission fine structure of three azapyrene compounds.
Date:
January 1, 1991
Creator:
Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene) & Tanga, Mary J.
System:
The UNT Digital Library
Spectroscopic Properties of Polycyclic Aromatic Compounds: Examination of Nitromethane as a Selective Fluorescence Quenching Agent for Alternant Polycyclic Aromatic Nitrogen Hetero-Atom Derivatives
Article on the spectroscopic properties of polycyclic aromatic compounds and an examination of nitromethane as a selective fluorescence quenching agent for alternant polycyclic aromatic nitrogen hetero-atom derivatives.
Date:
February 1, 1992
Creator:
Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene); Tanga, Mary J.; Tokita, Sumio; Hiruta, Kimihiro & Langhals, Heinz
System:
The UNT Digital Library