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Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups (open access)

Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups

Article on cooperative effects in the annelation of benzene by multiple etheno groups.
Date: April 20, 2011
Creator: Bao, Xiaoguang; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals (open access)

Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals

Article discussing the stability studies of transition-metal linkage isomers using quantum mechanical methods and groups 11 and 12 transition metals.
Date: April 29, 2005
Creator: Buda, Corneliu; Kazi, Abul B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes (open access)

The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes

This article discusses the reactivity patterns of low-coordinate iron-hydride complexes. The authors report a survey of the reactivity of the first isolable iron-hydride complexes with a coordiination number less than 5.
Date: April 30, 2008
Creator: Yu, Ying; Sadique, Azwana R.; Smith, Jeremy M.; Dugan, Thomas R.; Cowley, Ryan E.; Brennessel, William W. et al.
Object Type: Article
System: The UNT Digital Library

The Synergy Between Qualitative Theory, Quantitative Calculations, and Direct Experiments in Understanding, Calculating, and Measuring the Energy Differences Between the Lowest Singlet and Triplet States of Organic Diradicals

Article discussing the synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals.
Date: April 18, 2012
Creator: Lineberger, W. Carl & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Synthesis and Reactivity of a Coordinatively Unsaturated Ruthenium(II) Parent Amido Complex: Studies of X-H Activation (X = H or C) (open access)

Synthesis and Reactivity of a Coordinatively Unsaturated Ruthenium(II) Parent Amido Complex: Studies of X-H Activation (X = H or C)

Article discussing the synthesis and reactivity of a coordinatively unsaturated Ruthenium(II) parent amido complex and studies of X-H activation (X = H or C).
Date: April 27, 2004
Creator: Conner, David; Jayaprakash, K. N.; Cundari, Thomas R., 1964- & Gunnoe, T. Brent
Object Type: Article
System: The UNT Digital Library
Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study (open access)

Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study

This article discusses intertrimer and intratrimer metallophilic and excimeric bonding.
Date: April 8, 2006
Creator: Grimes, Thomas V.; Omary, Mohammad A.; Dias, H. V. Rasika & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Effects of covalency on the p-shell photoemission of transition metals: MnO (open access)

Effects of covalency on the p-shell photoemission of transition metals: MnO

This article discusses the effects of covalency on the p-shell photoemission of transition metals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings.
Date: April 13, 2006
Creator: Bagus, Paul S. & Ilton, Eugene S.
Object Type: Article
System: The UNT Digital Library
Computational study on NiA1: ground state, structure, and spectroscopic constants using density-functional theory (open access)

Computational study on NiA1: ground state, structure, and spectroscopic constants using density-functional theory

This paper discusses a computational study on NiA1 and ground state, structure, and spectroscopic constants using density-functional theory.
Date: April 15, 2010
Creator: Janardan, Smitha S. & Cundari, Thomas R., 1964-
Object Type: Paper
System: The UNT Digital Library
Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™ (open access)

Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™

This paper discusses research on teaching students organic chemistry and a QEP III Next Generation (N-Gen) Course Redesign project.
Date: April 15, 2010
Creator: Lavezo, Jonathan L. & Dandekar, Sushama Ashok
Object Type: Paper
System: The UNT Digital Library

DNA Profiling -- Forensics' Secret Weapon: A Work in Progress

Poster presentation for the 2009 University Scholars Day at at the University of North Texas discussing research on DNA profiling and forensics.
Date: April 2, 2009
Creator: Tippen, Samantha & Golden, Teresa
Object Type: Poster
System: The UNT Digital Library

Magnetic Levitation without Feedback Control

This paper discusses research on magnetic levitation without feedback control.
Date: April 19, 2012
Creator: Wofford, Joshua D. & Ordonez, Carlos A.
Object Type: Paper
System: The UNT Digital Library

Chiral Porphyrins as Selective Pharmaceutical Receptors

Poster presentation for the 2009 University Scholars Day at the University of North Texas discussing research on chiral porphyrins as selective pharmaceutical receptors.
Date: April 19, 2012
Creator: Guess, Spencer & Verrill, Diane
Object Type: Poster
System: The UNT Digital Library

Do You Know How To Maintain Beautiful Skin? Analysis of Skin Care Among Different Age Groups

Poster presentation for the 2012 University Scholars Day at the University of North Texas discussing research on skin care among different age groups.
Date: April 19, 2012
Creator: Ito, Aimi & Eve, Susan Brown
Object Type: Poster
System: The UNT Digital Library

Is The Future Integration Of Nanotechnology Into Osteopathic Medicine Plausible?

Poster presentation for the 2012 University Scholars Day at the University of North Texas discussing research on the conceptual and analytical aspects of the integration of nanotechnology into osteopathic medicine and its benefits.
Date: April 19, 2012
Creator: Mars, Jason & Verrill, Diane
Object Type: Poster
System: The UNT Digital Library

A Study of the Accuracy and Precision Among XRF, ICP-MS, and PIXE on Trace Element Analyses of Small Water Samples

Poster for the 2011 University Scholars Day at the University of North Texas discussing a study of the accuracy and precision among XRF, ICP-MS, and PIXE on trace element analyses of small water samples.
Date: April 14, 2011
Creator: Patnaik, Ritish; Naik, Sahil N.; Hart, Aaron S.; Kummari, Venkata C.; Phinney, Lucas; Dhoubhadel, Mangal et al.
Object Type: Poster
System: The UNT Digital Library

Biocompatible Graphene-based Growth of Cancer Cells: A Work in Progress

Poster presentation for the 2012 University Scholars Day at the University of North Texas. This poster discusses research on the biocompatible graphene-based growth of cancer cells. Graphene is made of a single layer of carbon atoms. Recently is has been used to successfully differentiate stem cells in neural cells.
Date: April 19, 2012
Creator: Parks, Melissa & Verrill, Diane
Object Type: Poster
System: The UNT Digital Library

The Possible Existence of Molecules BrKrCCKrBr and FKrCCKrCCKrF

Presentation for the 2009 University Scholars Day at the University of North Texas discussing research on the possible existence of molecules BrKrCCKrBr and FKrCCKrCCKrF.
Date: April 2, 2009
Creator: Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Object Type: Presentation
System: The UNT Digital Library

The correlation-consistent composite approach: Implementation of the resolution-of-the-identity approximation

Presentation for the 2009 University Scholars Day at the University of North Texas discussing research on the correlation-consistent composite approach (ccCA) and implementation of the resolution-of-the-identity approximation.
Date: April 2, 2009
Creator: Lai, Jeremy; Wilson, Angela K. & Prascher, Brian
Object Type: Presentation
System: The UNT Digital Library

Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™

Presentation for the 2010 University Scholars Day at the University of North Texas discussing teaching students organic chemistry and a QEP III Next Generation course redesign.
Date: April 15, 2010
Creator: Lavezo, Jonathan L. & Dandekar, Sushama Ashok
Object Type: Presentation
System: The UNT Digital Library

Quantum Mechanical Prediction of the Existence of Rare Gas-bound Species

Presentation for the 2010 University Scholars Day at the University of North Texas discussing quantum mechanical prediction of the existence of rare gas-bound species.
Date: April 15, 2010
Creator: Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Object Type: Presentation
System: The UNT Digital Library
[Review] Computational Inorganic and Bioinorganic Chemistry (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-
Object Type: Review
System: The UNT Digital Library
Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects (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
Object Type: Article
System: The UNT Digital Library
Thermochemical Investigations of Gas-Liquid Chromatography. Partition Coefficients of Inert Solutes on Self-Associating Binary Solvent Mixtures (open access)

Thermochemical Investigations of Gas-Liquid Chromatography. Partition Coefficients of Inert Solutes on Self-Associating Binary Solvent Mixtures

Article on thermochemical investigations of gas-liquid chromatography and partition coefficients of inert solutes on self-associating binary solvent mixtures.
Date: April 1982
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Excess Molar Volumes of Binary Mixtures of Cyclohexane and y-Butyrolactone with Aromatic Hydrocarbons (open access)

Excess Molar Volumes of Binary Mixtures of Cyclohexane and y-Butyrolactone with Aromatic Hydrocarbons

This article discusses excess molar volumes of binary mixtures of cyclohexane and y-butyrolactone with aromatic hydrocarbons.
Date: April 1985
Creator: Acree, William E. (William Eugene); Gholami, Kheirollah; McHan, Danny R. & Rytting, J. Howard
Object Type: Article
System: The UNT Digital Library