UNT College of Arts and Sciences - 172 Matching Results

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[Review] Chemistry of Advanced Materials: An Overview

This article reviews the book "Chemistry of Advanced Materials: An Overview," edited by Leonard V. Interrante and Mark J. Hampden-Smith.

Date: December 29, 1998

Creator: Cundari, Thomas R., 1964-

Item Type: Review

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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.

Item Type: Article

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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-

Item Type: Article

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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.

Item Type: Article

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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-

Item Type: Article

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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

Item Type: Article

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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.

Item Type: Article

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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-

Item Type: Article

open access

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.

Item Type: Article

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[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table

This article reviews the book "Deciphering the Chemical Code: Bonding Across the Periodic Table," by Nicolaos D. Epiotis.

Date: August 20, 1997

Creator: Cundari, Thomas R., 1964-

Item Type: Review

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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

Item Type: Article

open access

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.

Item Type: Article

open access

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.

Item Type: Article

open access

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.

Item Type: Article

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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)

Item Type: Article

open access

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.

Item Type: Article

open access

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)

Item Type: Article

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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

Item Type: Article

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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

Item Type: Article

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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

Item Type: Article

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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

Item Type: Article

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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.

Item Type: Article

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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.

Item Type: Article

open access

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-

Item Type: Article

UNT College of Arts and Sciences - 172 Matching Results

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[Review] Chemistry of Advanced Materials: An Overview

Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes

Methane Activation by Group IVB Imido Complexes

Structural Dichotomy in Six-Coordinate d⁰ Complexes: Trigonal Prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and Octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M = Zr, Hf)

Transition Metal Imido Complexes

An Effective Core Potential Study of Transition-Metal Chalcogenides. 1. Molecular Structure

High-Valent Transition-Metal Alkylidene Complexes: Effect of Ligand and Substituent Modification

Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes

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

[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table

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

Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods

Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds

Estimating Solid-Liquid Phase Change Enthalpies and Entropies

Comments on the Competitive Preferential Solvation Theory

Comment on "Margules Equations Applied to PAH Solubilities in Alcohol-Water Mixtures"

Solubility of Anthracene in Ternary Dibutyl Ether + Alcohol + 2,2,4-Trimethylpentane Solvent Mixtures

Brittle and Ductile Behavior in Carbon Nanotubes

Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes

Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?

Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide

Effect of Solvent Polarity on the Fluorescence Emission Spectra of Select Five- and Six-Ring Pyrene Derivatives

Effect of Solvent Polarity and Acidity on Fluorescence Emission Fine Structures of Select Aza-Polynuclear Aromatics and Dibenzo[b,n]perylene Hetero-Atom Derivatives

Polycyclic Aromatic Hydrocarbon Solute Probes. Part VIII: Evaluation of Additional Naphthacene and Perylene Derivatives as Possible Solvent Polarity Probe Molecules