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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 1990-1999
 Collection: UNT Scholarly Works
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
An Effective Core Potential Study of Transition-Metal Chalcogenides. 1. Molecular Structure

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

Date: May 1994
Creator: Benson, Michael T.; Cundari, Thomas R., 1964-; Lim, Soon J.; Nguyen, Hoang D. & Pierce-Beaver, Karen
Description: This article discusses an effective core potential study of transition-metal chalcogenides O, S, Se, and Te.
Contributing Partner: UNT College of Arts and Sciences
[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table

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

Date: August 20, 1997
Creator: Cundari, Thomas R., 1964-
Description: This book review discusses 'Deciphering the Chemical Code: Bonding Across the Periodic Table' by Nicolaos D. Epiotis from the University of Washington. The reviewer describes the work as a new theoretical framework for describing chemical bonding and gives specific information on what's covered in the book, the themes, and ideal audiences.
Contributing Partner: UNT College of Arts and Sciences
Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds

Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds

Date: August 7, 1997
Creator: Cundari, Thomas R., 1964- & Raby, Philip D.
Description: This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds.
Contributing Partner: UNT College of Arts and Sciences
Transition Metal Imido Complexes

Transition Metal Imido Complexes

Date: September 1, 1992
Creator: Cundari, Thomas R., 1964-
Description: Article discussing a wide range of transition metal imido (TMI) complexes using ab initio molecular orbital (MO) calculations.
Contributing Partner: UNT College of Arts and Sciences
[Review] Chemistry of Advanced Materials: An Overview

[Review] Chemistry of Advanced Materials: An Overview

Date: December 29, 1998
Creator: Cundari, Thomas R., 1964-
Description: This book review discusses 'Chemistry of Advanced Materials: An Overview', edited by Leonard V. Interrante from Renssalaer Polytechnic Institute, and Mark J. Hampden-Smith from the University of New Mexico.
Contributing Partner: UNT College of Arts and Sciences
Structural Dichotomy in Six-Coordinate d⁰ Complexes: Trigonal Prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and Octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M = Zr, Hf)

Structural Dichotomy in Six-Coordinate d⁰ Complexes: 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.
Description: Article discussing structural dichotomy in six-coordinate d⁰ complexes and trigonal prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M ≡ Zr, Hf).
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
Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods

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

Date: January 22, 1998
Creator: Cundari, Thomas R., 1964-; Saunders, Leah & Sisterhen, Laura L.
Description: This article discusses molecular modeling of vanadium-oxo complexes and a comparison of quantum and classical methods.
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
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