UNT College of Arts and Sciences - 810 Matching Results

Search Results

open access

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

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

open access

[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

open access

[Review] Computational Inorganic and Bioinorganic Chemistry

This article reviews the book "Computational Inorganic and Bioinorganic Chemistry," edited by Edward I. Solomon, Robert A. Scott, and R. Bruce King.

Date: April 28, 2010

Creator: Cundari, Thomas R., 1964-

Item Type: Review

open access

[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

open access

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

open access

Bonding and Structure of Copper Nitrenes

Article discussing research on the bonding and structure of copper nitrenes.

Date: October 4, 2008

Creator: Cundari, Thomas R., 1964- & Dinescu, Adriana

Item Type: Article

open access

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

open access

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

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

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

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

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).

Date: January 15, 2010

Creator: Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan

Item Type: Article

open access

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.

Date: October 6, 2007

Creator: Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent

Item Type: Article

open access

Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation

Article discussing research on the catalytic tuning of a phosphinoethane ligand for enhanced C-H activation.

Date: September 5, 2008

Creator: Cundari, Thomas R., 1964-; Jimenez-Halla, J. Oscar C.; Morello, Glenn R. & Vaddadi, Sridhar

Item Type: Article

open access

Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation

This article reports calculations that probe the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C-H activation.

Date: January 19, 2002

Creator: Cundari, Thomas R., 1964-; Klinckman, Thomas R. & Wolczanski, Peter T.

Item Type: Article

open access

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

This article discusses a 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

Item Type: Article

open access

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

Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K

This article describes methyl, ethyl and propyl parabens equilibrium solubility as determined in (methanol + water) binary mixtures at 298.15 K.

Date: January 7, 2017

Creator: Cárdenas, Zaira J.; Jiménez, Daniel M.; Delgado, Daniel R.; Almanza, Ovidio A.; Jouyban, Abolghasem; Martínez, Fleming et al.

Item Type: Article

open access

Singlet Quenching of Tetraphenylporphyrin and its Metal Derivatives by Iron(III) Coordination Compounds

This article reports on the singlet quenching of 5, 10, 15, 20-tetraphenylporphyrin (H₂TPP) and its magnesium(II) and zinc(II) derivatives (MgTPP and ZnTPP) by a series of iron(III) coordination compounds bearing different ligand systems.

Date: January 6, 1990

Creator: D'Souza, Francis & Krishnan, V.

Item Type: Article

open access

Quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine

Article on quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine.

Date: February 20, 2012

Creator: Dashtbozorgi, Zahra; Golmohammadi, Hassan & Acree, William E. (William Eugene)

Item Type: Article

open access

Binder Enhanced Refuse Derived Fuel

Patent relating to refuse derived fuels and more particularly to binder enhanced refuse derived fuel pellets and utilization of such pellets in solid-fuel fired furnaces.

Date: October 8, 1996

Creator: Daugherty, Kenneth E.; Venables, Barney J. & Ohlsson, Oscar O.

Item Type: Patent

open access

Solubility of Anthracene in Binary Alcohol + Acetonitrile Solvent Mixtures at 298.2 K

Article on the solubility of anthracene in binary alcohol + acetonitrile solvent mixtures at 298.2 K.

Date: January 1, 2003

Creator: De Fina, Karina M.; Abernathy, Sarah; Alexander, Karen; Olugbuyi, Comfort; Vance, Araina & Acree, William E. (William Eugene)

Item Type: Article

open access

Solubility of 2-Hydroxybenzoic Acid in Select Organic Solvents at 298.15 K

Article on the solubility of 2-hydroxybenzoic acid in select organic solvents at 298.15 K.

Date: September 16, 1999

Creator: De Fina, Karina M.; Sharp, Tina L.; Roy, Lindsay Elizabeth & Acree, William E. (William Eugene)

Item Type: Article

UNT College of Arts and Sciences - 810 Matching Results

Search Results

Add Filters

Applied Filters

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

Methane Activation by Group IVB Imido Complexes

[Review] Chemistry of Advanced Materials: An Overview

[Review] Computational Inorganic and Bioinorganic Chemistry

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

Transition Metal Imido Complexes

Bonding and Structure of Copper Nitrenes

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

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

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

Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds

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

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation

Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation

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

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

Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K

Singlet Quenching of Tetraphenylporphyrin and its Metal Derivatives by Iron(III) Coordination Compounds

Quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine

Binder Enhanced Refuse Derived Fuel

Solubility of Anthracene in Binary Alcohol + Acetonitrile Solvent Mixtures at 298.2 K

Solubility of 2-Hydroxybenzoic Acid in Select Organic Solvents at 298.15 K