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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 1990-1999
 Collection: UNT Scholarly Works
Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?
Article on ad-dimers on strained carbon nano-tubes. digital.library.unt.edu/ark:/67531/metadc270793/
Brittle and Ductile Behavior in Carbon Nanotubes
Article on brittle and ductile behavior in carbon nanotubes. digital.library.unt.edu/ark:/67531/metadc270780/
Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes
This article discusses the calculation of a methane C-H oxidative addition trajectory. digital.library.unt.edu/ark:/67531/metadc107777/
Comment on "Margules Equations Applied to PAH Solubilities in Alcohol-Water Mixtures"
This article provides comments on "Margules Equations Applied to PAH Solubilities in Alcohol-Water Mixtures," published in 'Environmental Science & Technology," 1997. digital.library.unt.edu/ark:/67531/metadc171461/
Comments on the Competitive Preferential Solvation Theory
This article offers comments on the competitive preferential solvation theory. digital.library.unt.edu/ark:/67531/metadc157300/
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. digital.library.unt.edu/ark:/67531/metadc282642/
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. digital.library.unt.edu/ark:/67531/metadc279688/
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. digital.library.unt.edu/ark:/67531/metadc107778/
Estimating Solid-Liquid Phase Change Enthalpies and Entropies
This article discusses estimating solid-liquid phase change enthalpies and entropies. digital.library.unt.edu/ark:/67531/metadc152463/
High-Valent Transition-Metal Alkylidene Complexes: Effect of Ligand and Substituent Modification
This article discusses the effects of ligand and substituent modification on the metal-carbon double bond. The main conclusion drawn from this work is that the intrinsic nature of the metal-carbon double bond can typically be changed only within certain limits by modification of the electronegativity of the ligands (L) and substituents (Z). digital.library.unt.edu/ark:/67531/metadc107774/
Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes
Article on lip-lip interactions and the growth of multiwalled carbon nanotubes. digital.library.unt.edu/ark:/67531/metadc270783/
Methane Activation by Group IVB Imido Complexes
This article discusses a study of methane activation by group IVB imido complexes, when coupled with available experimental data, reveals an interesting picture of this important reaction. digital.library.unt.edu/ark:/67531/metadc107807/
Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects
This article discusses modeling nonlinear optical properties of transition metal complexes. digital.library.unt.edu/ark:/67531/metadc107805/
Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods
This article discusses molecular modeling of vanadium-oxo complexes. digital.library.unt.edu/ark:/67531/metadc107804/
Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide
Article on phonon softening and high-pressure low-symmetry phases of cesium iodide. digital.library.unt.edu/ark:/67531/metadc270786/
Polycyclic Aromatic Hydrocarbon Solute Probes. Part VI: Effect of Dissolved Oxygen and Halogenated Solvents on the Emission Spectra of Select Probe Molecules
Article on polycyclic aromatic hydrocarbon solute probes and the effect of dissolved oxygen and halogenated solvents on the emission spectra of select probe molecules. digital.library.unt.edu/ark:/67531/metadc283661/
Polycyclic Aromatic Hydrocarbon Solute Probes. Part VII: Evaluation of Additional Coronene Derivatives as Possible Solvent Polarity Probe Molecules
Article on polycyclic aromatic hydrocarbon solute probes and the evaluation of additional coronene derivatives as possible solvent polarity probe molecules. digital.library.unt.edu/ark:/67531/metadc283656/
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. digital.library.unt.edu/ark:/67531/metadc282646/
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. digital.library.unt.edu/ark:/67531/metadc282644/
Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes
This article discusses principal resonance contributors to high-valent, transition-metal alkylidene complexes. Stationary points on each potential energy surface are characterized and compared to experimental information where available; as long as a suitably flexible valence basis set is used, good agreement between theoretically calculated and experimentally determined geometries is obtained. digital.library.unt.edu/ark:/67531/metadc107773/
[Review] Chemistry of Advanced Materials: An Overview
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. digital.library.unt.edu/ark:/67531/metadc107798/
[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table
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. digital.library.unt.edu/ark:/67531/metadc107796/
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. digital.library.unt.edu/ark:/67531/metadc107776/
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. digital.library.unt.edu/ark:/67531/metadc174736/
Spectroscopic Properties of Polycyclic Aromatic Compounds: Examination of Nitromethane as a Selective Fluorescence Quenching Agent for Alternate 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. digital.library.unt.edu/ark:/67531/metadc282645/
Spectroscopic Properties of Polycyclic Aromatic Hydrocarbons: Effect of Solvent Polarity on the Fluorescence Emission Behavior of Select Fluoranthene, Fluorenochrysene, Indenochrysene, and Indenopyrene Derivatives
Article on the spectroscopic properties of polycyclic aromatic hydrocarbons and the effect of solvent polarity on the fluorescence emission behavior of select fluoranthene, fluorenochrysene, indenochrysene, and indenopyrene derivatives. digital.library.unt.edu/ark:/67531/metadc283653/
Structural Dichotomy in Six-Coordinate d⁰ Complexes: Trigonal Prismatic (ᵗBu₃SiC≡C)₆Ta⁻ and Octahedral (ᵗBu₃SiC≡C)₆M²⁻ (M = Zr, Hf)
This article discusses structural dichotomy in six-coordinate d⁰ complexes. digital.library.unt.edu/ark:/67531/metadc107797/
Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds
This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds. digital.library.unt.edu/ark:/67531/metadc107803/
Transition Metal Imido Complexes
This articles discusses transition metal imido complexes. A wide range of transition metal imido (TMI) complexes is studied using ab initio molecular orbital (MO) calculations. The main computational point of interest is the further testing of effective core potentials (ECPs) and valence basis sets to allow for the accurate calculation of properties for reasonably sized transition metal complexes. digital.library.unt.edu/ark:/67531/metadc107775/