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You searched for +publisher:"University of North Texas" +contributor:("Cundari, Thomas R."). Showing records 1 – 30 of 72 total matches.

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University of North Texas

1. Jeffrey, Chris C. Applications of Single Reference Methods to Multi-Reference Problems.

Degree: 2015, University of North Texas

 Density functional theory is an efficient and useful method of solving single-reference computational chemistry problems, however it struggles with multi-reference systems. Modifications have been developed… (more)

Subjects/Keywords: density function theory; multi-reference lanthanide; lanthanide trifluoride; non-dynamical correlation; Density functionals.; Mathematical optimization.; Rare earth metals.; Quantum chemistry.

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APA (6th Edition):

Jeffrey, C. C. (2015). Applications of Single Reference Methods to Multi-Reference Problems. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc801919/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Jeffrey, Chris C. “Applications of Single Reference Methods to Multi-Reference Problems.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc801919/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Jeffrey, Chris C. “Applications of Single Reference Methods to Multi-Reference Problems.” 2015. Web. 29 Nov 2020.

Vancouver:

Jeffrey CC. Applications of Single Reference Methods to Multi-Reference Problems. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc801919/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Jeffrey CC. Applications of Single Reference Methods to Multi-Reference Problems. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc801919/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

2. Khani, Sarah Karbalaei. Exploring Inorganic Catalysis with Electronic Structure Simulations.

Degree: 2016, University of North Texas

 Organometallic catalysis has attracted significant interest from both industry and academia due to its wide applications in organic synthetic transformations. Example of such transformations include… (more)

Subjects/Keywords: Carbenoid; Nitrenoid; Oxenoid; Chemistry, Inorganic.; Nitrenes.; Carbenes (Methylene compounds); Catalysis.; Organometallic chemistry.

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APA (6th Edition):

Khani, S. K. (2016). Exploring Inorganic Catalysis with Electronic Structure Simulations. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc849685/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Khani, Sarah Karbalaei. “Exploring Inorganic Catalysis with Electronic Structure Simulations.” 2016. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc849685/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Khani, Sarah Karbalaei. “Exploring Inorganic Catalysis with Electronic Structure Simulations.” 2016. Web. 29 Nov 2020.

Vancouver:

Khani SK. Exploring Inorganic Catalysis with Electronic Structure Simulations. [Internet] [Thesis]. University of North Texas; 2016. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc849685/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Khani SK. Exploring Inorganic Catalysis with Electronic Structure Simulations. [Thesis]. University of North Texas; 2016. Available from: https://digital.library.unt.edu/ark:/67531/metadc849685/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

3. Weber, Rebecca J. Computational Modeling of Small Molecules.

Degree: 2015, University of North Texas

 Computational chemistry lies at the intersection of chemistry, physics, mathematics, and computer science, and can be used to explain the behavior of atoms and molecules,… (more)

Subjects/Keywords: Ab intio; DFT; lanthanides; basis sets; CBS; extrapolation; CCCA; CCSD (T); Molecular dynamics.; Molecular structure.; Chemistry  – Mathematics.

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APA (6th Edition):

Weber, R. J. (2015). Computational Modeling of Small Molecules. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc822766/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Weber, Rebecca J. “Computational Modeling of Small Molecules.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc822766/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Weber, Rebecca J. “Computational Modeling of Small Molecules.” 2015. Web. 29 Nov 2020.

Vancouver:

Weber RJ. Computational Modeling of Small Molecules. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc822766/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Weber RJ. Computational Modeling of Small Molecules. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc822766/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

4. Wang, Jiaqi. The Impact of Computational Methods on Transition Metal-containing Species.

Degree: 2015, University of North Texas

 Quantum chemistry methodologies can be used to address a wide variety of chemical problems. Key to the success of quantum chemistry methodologies, however, is the… (more)

Subjects/Keywords: transition metal; density functional theory; multi reference character; Quantum chemistry.; Transition metals.; Chemistry  – Mathematics.; Density functionals.

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APA (6th Edition):

Wang, J. (2015). The Impact of Computational Methods on Transition Metal-containing Species. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc822795/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Wang, Jiaqi. “The Impact of Computational Methods on Transition Metal-containing Species.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc822795/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Wang, Jiaqi. “The Impact of Computational Methods on Transition Metal-containing Species.” 2015. Web. 29 Nov 2020.

Vancouver:

Wang J. The Impact of Computational Methods on Transition Metal-containing Species. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc822795/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Wang J. The Impact of Computational Methods on Transition Metal-containing Species. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc822795/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

5. Upadhyay, Prabhat Kumar. Design, Synthesis, and Characterization of Aqueous Polymeric Hybrid Composites and Nanomaterials of Platinum(II) and Gold(I) Phosphorescent Complexes for Sensing and Biomedical Applications.

Degree: 2015, University of North Texas

 The two major topics studied in this dissertation are the gold(I) pyrazolate trimer {[Au(3-R,5-R’)Pz]3} complexes in aqueous chitosan polymer and phosphorescent polymeric nanoparticles based on… (more)

Subjects/Keywords: phosphorescent nanoparticles; gold(I) pyrazolate trimers; chitosan polymer; Nanostructured materials.; Gold.; Platinum.; Metal complexes.; Biomedical materials.; Polymers.; Phosphorescence.

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APA (6th Edition):

Upadhyay, P. K. (2015). Design, Synthesis, and Characterization of Aqueous Polymeric Hybrid Composites and Nanomaterials of Platinum(II) and Gold(I) Phosphorescent Complexes for Sensing and Biomedical Applications. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc822788/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Upadhyay, Prabhat Kumar. “Design, Synthesis, and Characterization of Aqueous Polymeric Hybrid Composites and Nanomaterials of Platinum(II) and Gold(I) Phosphorescent Complexes for Sensing and Biomedical Applications.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc822788/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Upadhyay, Prabhat Kumar. “Design, Synthesis, and Characterization of Aqueous Polymeric Hybrid Composites and Nanomaterials of Platinum(II) and Gold(I) Phosphorescent Complexes for Sensing and Biomedical Applications.” 2015. Web. 29 Nov 2020.

Vancouver:

Upadhyay PK. Design, Synthesis, and Characterization of Aqueous Polymeric Hybrid Composites and Nanomaterials of Platinum(II) and Gold(I) Phosphorescent Complexes for Sensing and Biomedical Applications. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc822788/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Upadhyay PK. Design, Synthesis, and Characterization of Aqueous Polymeric Hybrid Composites and Nanomaterials of Platinum(II) and Gold(I) Phosphorescent Complexes for Sensing and Biomedical Applications. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc822788/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

6. South, Christopher James. Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules.

Degree: 2016, University of North Texas

 Quantum chemical methods have been used to model a variety of p- and f-block chemical species to gain insight about their energetic and spectroscopic properties.… (more)

Subjects/Keywords: Computational; Lanthanide; Actinide; MR-ccCA; Ab initio; Relativistic; DFT

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APA (6th Edition):

South, C. J. (2016). Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc862830/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

South, Christopher James. “Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules.” 2016. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc862830/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

South, Christopher James. “Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules.” 2016. Web. 29 Nov 2020.

Vancouver:

South CJ. Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules. [Internet] [Thesis]. University of North Texas; 2016. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc862830/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

South CJ. Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules. [Thesis]. University of North Texas; 2016. Available from: https://digital.library.unt.edu/ark:/67531/metadc862830/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

7. Almotawa, Ruaa Mohammed. Silver(I) and Copper(I) Complexes from Homoleptic to Heteroleptic: Synthesis, Structure and Characterization.

Degree: 2018, University of North Texas

 A plethora of novel scientific phenomena and practical applications, such as solid-state molecular solar cells and other optoelectronic devices for energy harvesting and lighting technologies,… (more)

Subjects/Keywords: chemical coordination; polymers; Cu(I); Ag(I); diimine; ligands; diphosphine

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APA (6th Edition):

Almotawa, R. M. (2018). Silver(I) and Copper(I) Complexes from Homoleptic to Heteroleptic: Synthesis, Structure and Characterization. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1404512/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Almotawa, Ruaa Mohammed. “Silver(I) and Copper(I) Complexes from Homoleptic to Heteroleptic: Synthesis, Structure and Characterization.” 2018. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1404512/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Almotawa, Ruaa Mohammed. “Silver(I) and Copper(I) Complexes from Homoleptic to Heteroleptic: Synthesis, Structure and Characterization.” 2018. Web. 29 Nov 2020.

Vancouver:

Almotawa RM. Silver(I) and Copper(I) Complexes from Homoleptic to Heteroleptic: Synthesis, Structure and Characterization. [Internet] [Thesis]. University of North Texas; 2018. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1404512/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Almotawa RM. Silver(I) and Copper(I) Complexes from Homoleptic to Heteroleptic: Synthesis, Structure and Characterization. [Thesis]. University of North Texas; 2018. Available from: https://digital.library.unt.edu/ark:/67531/metadc1404512/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

8. Otten, Brooke Michelle. Computational and Experimental Studies of the Photoluminescence, Reactivity and Structural Properties of d10 and d8 Metal Complexes.

Degree: 2019, University of North Texas

 Computational chemistry has gained interest as a characterization tool to predict photoluminescence, reactivity and structural properties of organic and transition metal complexes. With the rise… (more)

Subjects/Keywords: group 11 metals; coinage metals; spin-orbit coupling; spin-orbit splitting; photoluminescence; oxidative addition; thermochemistry; Pt(II) diimine complexes; d10-d10 bonding; metal-metal bonds; density functional theory; morse potentials

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APA (6th Edition):

Otten, B. M. (2019). Computational and Experimental Studies of the Photoluminescence, Reactivity and Structural Properties of d10 and d8 Metal Complexes. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1505232/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Otten, Brooke Michelle. “Computational and Experimental Studies of the Photoluminescence, Reactivity and Structural Properties of d10 and d8 Metal Complexes.” 2019. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1505232/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Otten, Brooke Michelle. “Computational and Experimental Studies of the Photoluminescence, Reactivity and Structural Properties of d10 and d8 Metal Complexes.” 2019. Web. 29 Nov 2020.

Vancouver:

Otten BM. Computational and Experimental Studies of the Photoluminescence, Reactivity and Structural Properties of d10 and d8 Metal Complexes. [Internet] [Thesis]. University of North Texas; 2019. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505232/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Otten BM. Computational and Experimental Studies of the Photoluminescence, Reactivity and Structural Properties of d10 and d8 Metal Complexes. [Thesis]. University of North Texas; 2019. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505232/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

9. Parveen, Riffat. Computational Studies of C-H Bond Activation and Ethylene Polymerization Using Transition Metal Complexes.

Degree: 2019, University of North Texas

 This work discusses the C-H bond activation by transition metal complexes using various computational methods. First, we performed a DFT study of oxidative addition of… (more)

Subjects/Keywords: Tantalum; Rhenium; Density Functional Theory; Zirconocenes; Olefin Polymerization; Chemistry, Inorganic

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APA (6th Edition):

Parveen, R. (2019). Computational Studies of C-H Bond Activation and Ethylene Polymerization Using Transition Metal Complexes. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1505131/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Parveen, Riffat. “Computational Studies of C-H Bond Activation and Ethylene Polymerization Using Transition Metal Complexes.” 2019. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1505131/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Parveen, Riffat. “Computational Studies of C-H Bond Activation and Ethylene Polymerization Using Transition Metal Complexes.” 2019. Web. 29 Nov 2020.

Vancouver:

Parveen R. Computational Studies of C-H Bond Activation and Ethylene Polymerization Using Transition Metal Complexes. [Internet] [Thesis]. University of North Texas; 2019. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505131/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Parveen R. Computational Studies of C-H Bond Activation and Ethylene Polymerization Using Transition Metal Complexes. [Thesis]. University of North Texas; 2019. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505131/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

10. Jiang, Quan. Computational Studies of Catalysis Mediated by Transition Metal Complexes.

Degree: 2019, University of North Texas

 Computational methods were employed to investigate catalytic processes. First, DFT calculations predicted the important geometry metrics of a copper–nitrene complex. MCSCF calculations supported the open-shell… (more)

Subjects/Keywords: Computational chemistry; Catalysis; Mechanism; Transition metal complexes; Chemistry, Inorganic

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APA (6th Edition):

Jiang, Q. (2019). Computational Studies of Catalysis Mediated by Transition Metal Complexes. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1505187/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Jiang, Quan. “Computational Studies of Catalysis Mediated by Transition Metal Complexes.” 2019. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1505187/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Jiang, Quan. “Computational Studies of Catalysis Mediated by Transition Metal Complexes.” 2019. Web. 29 Nov 2020.

Vancouver:

Jiang Q. Computational Studies of Catalysis Mediated by Transition Metal Complexes. [Internet] [Thesis]. University of North Texas; 2019. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505187/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Jiang Q. Computational Studies of Catalysis Mediated by Transition Metal Complexes. [Thesis]. University of North Texas; 2019. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505187/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

11. Mayberry, Darrell D. Synthesis, Characterization, and Reactivity of Prochiral Ruthenium Clusters and Bimetallic Rhenium Complexes with an Unsymmetrical Diphosphine and Hard-Soft Donor Ligands.

Degree: 2019, University of North Texas

 The reaction of [BrRe(CO)₄]₂ with 2-(diphenylphosphino)pyridine (PN) and 6-(diphenylphosphino)-2-formylpyridine (PON) was investigated. The reactions were regiospecific and exclusively produced the phosphorus-coordinated products, BrRe(CO)₄(κᵖ-PN) and BrRe(CO)₄(κᴾ-PON).… (more)

Subjects/Keywords: cluster chemistry; organometallics; chiral resolution; mechanisms; DFT

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APA (6th Edition):

Mayberry, D. D. (2019). Synthesis, Characterization, and Reactivity of Prochiral Ruthenium Clusters and Bimetallic Rhenium Complexes with an Unsymmetrical Diphosphine and Hard-Soft Donor Ligands. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1538707/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Mayberry, Darrell D. “Synthesis, Characterization, and Reactivity of Prochiral Ruthenium Clusters and Bimetallic Rhenium Complexes with an Unsymmetrical Diphosphine and Hard-Soft Donor Ligands.” 2019. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1538707/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Mayberry, Darrell D. “Synthesis, Characterization, and Reactivity of Prochiral Ruthenium Clusters and Bimetallic Rhenium Complexes with an Unsymmetrical Diphosphine and Hard-Soft Donor Ligands.” 2019. Web. 29 Nov 2020.

Vancouver:

Mayberry DD. Synthesis, Characterization, and Reactivity of Prochiral Ruthenium Clusters and Bimetallic Rhenium Complexes with an Unsymmetrical Diphosphine and Hard-Soft Donor Ligands. [Internet] [Thesis]. University of North Texas; 2019. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1538707/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mayberry DD. Synthesis, Characterization, and Reactivity of Prochiral Ruthenium Clusters and Bimetallic Rhenium Complexes with an Unsymmetrical Diphosphine and Hard-Soft Donor Ligands. [Thesis]. University of North Texas; 2019. Available from: https://digital.library.unt.edu/ark:/67531/metadc1538707/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

12. Vazquez Montelongo, Erik Antonio. Computational Study of Intermolecular Interactions in Complex Chemical Systems.

Degree: 2020, University of North Texas

 This work discusses applications of computational simulations to a wide variety of chemical systems, to investigate intermolecular interactions to develop force field parameters and gain… (more)

Subjects/Keywords: Intermolecular interactions; topological analysis; energy decomposition analysis; qmmm calculations; Chemistry, Physical

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APA (6th Edition):

Vazquez Montelongo, E. A. (2020). Computational Study of Intermolecular Interactions in Complex Chemical Systems. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1703283/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Vazquez Montelongo, Erik Antonio. “Computational Study of Intermolecular Interactions in Complex Chemical Systems.” 2020. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1703283/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Vazquez Montelongo, Erik Antonio. “Computational Study of Intermolecular Interactions in Complex Chemical Systems.” 2020. Web. 29 Nov 2020.

Vancouver:

Vazquez Montelongo EA. Computational Study of Intermolecular Interactions in Complex Chemical Systems. [Internet] [Thesis]. University of North Texas; 2020. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1703283/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Vazquez Montelongo EA. Computational Study of Intermolecular Interactions in Complex Chemical Systems. [Thesis]. University of North Texas; 2020. Available from: https://digital.library.unt.edu/ark:/67531/metadc1703283/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

13. Najafian, Ahmad. Activation of Small Molecules by Transition Metal Complexes via Computational Methods.

Degree: 2020, University of North Texas

 The first study project is based on modeling Earth abundant 3d transition-metal methoxide complexes with potentially redox-noninnocent ligands for methane C–H bond activation to form… (more)

Subjects/Keywords: Methane activation; Density functional theory; Metal-based catalyst; Ammonia oxidation; Computational chemistry

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APA (6th Edition):

Najafian, A. (2020). Activation of Small Molecules by Transition Metal Complexes via Computational Methods. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1703353/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Najafian, Ahmad. “Activation of Small Molecules by Transition Metal Complexes via Computational Methods.” 2020. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1703353/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Najafian, Ahmad. “Activation of Small Molecules by Transition Metal Complexes via Computational Methods.” 2020. Web. 29 Nov 2020.

Vancouver:

Najafian A. Activation of Small Molecules by Transition Metal Complexes via Computational Methods. [Internet] [Thesis]. University of North Texas; 2020. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1703353/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Najafian A. Activation of Small Molecules by Transition Metal Complexes via Computational Methods. [Thesis]. University of North Texas; 2020. Available from: https://digital.library.unt.edu/ark:/67531/metadc1703353/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

14. Oyedepo, Gbenga A. The Multi-reference Correlation Consistent Composite Approach: A New Vista In Quantitative Prediction Of Thermochemical And Spectroscopic Properties.

Degree: 2011, University of North Texas

 The multi-reference correlation consistent composite approach (MR-ccCA) was designed to reproduce the accuracy of more computationally intensive ab initio quantum mechanical methods like MR-ACPF-DK/aug-cc-pCV?Z-DK, albeit… (more)

Subjects/Keywords: ccCA; rp-ccCA; MR-ccCa; composite methods; multi-reference methods; CCSD(T)/CBS

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APA (6th Edition):

Oyedepo, G. A. (2011). The Multi-reference Correlation Consistent Composite Approach: A New Vista In Quantitative Prediction Of Thermochemical And Spectroscopic Properties. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc103368/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Oyedepo, Gbenga A. “The Multi-reference Correlation Consistent Composite Approach: A New Vista In Quantitative Prediction Of Thermochemical And Spectroscopic Properties.” 2011. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc103368/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Oyedepo, Gbenga A. “The Multi-reference Correlation Consistent Composite Approach: A New Vista In Quantitative Prediction Of Thermochemical And Spectroscopic Properties.” 2011. Web. 29 Nov 2020.

Vancouver:

Oyedepo GA. The Multi-reference Correlation Consistent Composite Approach: A New Vista In Quantitative Prediction Of Thermochemical And Spectroscopic Properties. [Internet] [Thesis]. University of North Texas; 2011. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc103368/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Oyedepo GA. The Multi-reference Correlation Consistent Composite Approach: A New Vista In Quantitative Prediction Of Thermochemical And Spectroscopic Properties. [Thesis]. University of North Texas; 2011. Available from: https://digital.library.unt.edu/ark:/67531/metadc103368/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

15. Brumfield, Michéla L. Characterization of Aprotic Solutes and Solvents Using Abraham Model Correlations.

Degree: 2016, University of North Texas

 Experimental data were obtained for the computation of mole fraction solubilities of three dichloronitrobenzenes in organic solvents at 25 °C, and solubility ratios were obtained… (more)

Subjects/Keywords: Abraham Model; Solvation; Enthalpy of solvation; Partition coefficient; Mesitylene; p-Xylene; Chlorobenzene; Diisopropyl ether; Chemistry, Analytical; Dichloronitrobenzene  – Solubility.; Tributyl phosphate  – Solubility.; Ether  – Solubility.

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APA (6th Edition):

Brumfield, M. L. (2016). Characterization of Aprotic Solutes and Solvents Using Abraham Model Correlations. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc955029/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Brumfield, Michéla L. “Characterization of Aprotic Solutes and Solvents Using Abraham Model Correlations.” 2016. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc955029/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Brumfield, Michéla L. “Characterization of Aprotic Solutes and Solvents Using Abraham Model Correlations.” 2016. Web. 29 Nov 2020.

Vancouver:

Brumfield ML. Characterization of Aprotic Solutes and Solvents Using Abraham Model Correlations. [Internet] [Thesis]. University of North Texas; 2016. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc955029/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Brumfield ML. Characterization of Aprotic Solutes and Solvents Using Abraham Model Correlations. [Thesis]. University of North Texas; 2016. Available from: https://digital.library.unt.edu/ark:/67531/metadc955029/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

16. McDougald, Roy N., Jr. Photochemical and Photophysical Properties of Mononuclear and Multinuclear Closed Shell D10 Coinage Metal Complexes and Their Metallo-organometallic Adducts.

Degree: 2013, University of North Texas

 This dissertation covers the studies of two major topics: the photochemistry of mononuclear and multinuclear gold(I) complexes and synthetic approaches to tailor photophysical properties of… (more)

Subjects/Keywords: Organometallic; trinuclear gold complex; π-acid/π-base adducts; aurophilicity; heterobimetallic

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APA (6th Edition):

McDougald, Roy N., J. (2013). Photochemical and Photophysical Properties of Mononuclear and Multinuclear Closed Shell D10 Coinage Metal Complexes and Their Metallo-organometallic Adducts. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc407759/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

McDougald, Roy N., Jr. “Photochemical and Photophysical Properties of Mononuclear and Multinuclear Closed Shell D10 Coinage Metal Complexes and Their Metallo-organometallic Adducts.” 2013. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc407759/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

McDougald, Roy N., Jr. “Photochemical and Photophysical Properties of Mononuclear and Multinuclear Closed Shell D10 Coinage Metal Complexes and Their Metallo-organometallic Adducts.” 2013. Web. 29 Nov 2020.

Vancouver:

McDougald, Roy N. J. Photochemical and Photophysical Properties of Mononuclear and Multinuclear Closed Shell D10 Coinage Metal Complexes and Their Metallo-organometallic Adducts. [Internet] [Thesis]. University of North Texas; 2013. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc407759/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

McDougald, Roy N. J. Photochemical and Photophysical Properties of Mononuclear and Multinuclear Closed Shell D10 Coinage Metal Complexes and Their Metallo-organometallic Adducts. [Thesis]. University of North Texas; 2013. Available from: https://digital.library.unt.edu/ark:/67531/metadc407759/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

17. Prince, Bruce M. The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation.

Degree: 2014, University of North Texas

 Our country continues to demand clean renewable energy to meet the growing energy needs of our time. Thus, natural gas, which is 87% by volume… (more)

Subjects/Keywords: DFT; oxy-insertion; methylmigration; methane to methanol; Methane.; Methanol.; Transition metal complexes.

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APA (6th Edition):

Prince, B. M. (2014). The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc500116/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Prince, Bruce M. “The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation.” 2014. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc500116/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Prince, Bruce M. “The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation.” 2014. Web. 29 Nov 2020.

Vancouver:

Prince BM. The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation. [Internet] [Thesis]. University of North Texas; 2014. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc500116/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Prince BM. The Mechanisms of Methane C–H Activation and Oxy-insertion Via Small Transition Metal Complexes: a DFT Computational Investigation. [Thesis]. University of North Texas; 2014. Available from: https://digital.library.unt.edu/ark:/67531/metadc500116/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

18. Laury, Marie L. Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods.

Degree: 2013, University of North Texas

 Computational chemistry has led to the greater understanding of the molecular world, from the interaction of molecules, to the composition of molecular species and materials.… (more)

Subjects/Keywords: Ab initio; density functional theory; transition metal; computational chemistry

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APA (6th Edition):

Laury, M. L. (2013). Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc500071/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Laury, Marie L. “Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods.” 2013. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc500071/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Laury, Marie L. “Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods.” 2013. Web. 29 Nov 2020.

Vancouver:

Laury ML. Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods. [Internet] [Thesis]. University of North Texas; 2013. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc500071/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Laury ML. Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods. [Thesis]. University of North Texas; 2013. Available from: https://digital.library.unt.edu/ark:/67531/metadc500071/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

19. Gibson, Joshua S. From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets.

Degree: 2014, University of North Texas

 The development of the semi-empirical atomistic potential called the embedded atom method (EAM) has allowed for the efficient modeling of solid-state environments, at a lower… (more)

Subjects/Keywords: Correlation consistent basis sets; modified embedded atom method; density functional theory

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APA (6th Edition):

Gibson, J. S. (2014). From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc500219/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Gibson, Joshua S. “From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets.” 2014. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc500219/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Gibson, Joshua S. “From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets.” 2014. Web. 29 Nov 2020.

Vancouver:

Gibson JS. From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets. [Internet] [Thesis]. University of North Texas; 2014. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc500219/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Gibson JS. From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets. [Thesis]. University of North Texas; 2014. Available from: https://digital.library.unt.edu/ark:/67531/metadc500219/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

20. Liu, Cong. Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation.

Degree: 2013, University of North Texas

 CO2 activation and conversion mediated by transition metal (TM) catalysts were investigated. Homogeneous catalysis of the reverse water gas shift reaction CO2+H2→H2O+CO was studied as… (more)

Subjects/Keywords: Transition metal; catalysis; lignin; dimethyl ether; CO2; computational study; DFT

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APA (6th Edition):

Liu, C. (2013). Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc283790/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Liu, Cong. “Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation.” 2013. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc283790/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Liu, Cong. “Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation.” 2013. Web. 29 Nov 2020.

Vancouver:

Liu C. Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation. [Internet] [Thesis]. University of North Texas; 2013. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc283790/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Liu C. Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation. [Thesis]. University of North Texas; 2013. Available from: https://digital.library.unt.edu/ark:/67531/metadc283790/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

21. Ingle, Brandall L. The Mechanisms of Human Glutathione Synthetase and Related Non-Enyzmatic Catalysis.

Degree: 2015, University of North Texas

 Human glutathione synthetase (hGS) is a homodimeric enzymes that catalyzes the second step in the biological synthesis of glutathione, a critical cellular antioxidant. The enzyme… (more)

Subjects/Keywords: allostery; glutathione; enzyme; catalysis; Glutathione.; Ligases.; Catalysis.

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APA (6th Edition):

Ingle, B. L. (2015). The Mechanisms of Human Glutathione Synthetase and Related Non-Enyzmatic Catalysis. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc801927/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Ingle, Brandall L. “The Mechanisms of Human Glutathione Synthetase and Related Non-Enyzmatic Catalysis.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc801927/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Ingle, Brandall L. “The Mechanisms of Human Glutathione Synthetase and Related Non-Enyzmatic Catalysis.” 2015. Web. 29 Nov 2020.

Vancouver:

Ingle BL. The Mechanisms of Human Glutathione Synthetase and Related Non-Enyzmatic Catalysis. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc801927/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Ingle BL. The Mechanisms of Human Glutathione Synthetase and Related Non-Enyzmatic Catalysis. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc801927/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

22. Riojas, Amanda G. Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions.

Degree: 2015, University of North Texas

 Advances in computing capabilities have facilitated the application of quantum mechanical methods to increasingly larger and more complex chemical systems, including weakly interacting and biologically… (more)

Subjects/Keywords: composite methods; correlation consistent composite approach (ccCA); Solv-ccCA method; noncovalent interactions; Chemistry  – Mathematics.; Chemistry  – Computer simulation.; Biological systems  – Mathematical models.; Heat of formation.; Organophosphorus compounds.; Chemical bonds.

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APA (6th Edition):

Riojas, A. G. (2015). Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc801886/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Riojas, Amanda G. “Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc801886/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Riojas, Amanda G. “Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions.” 2015. Web. 29 Nov 2020.

Vancouver:

Riojas AG. Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc801886/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Riojas AG. Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc801886/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

23. Haynes, Keith M. Molecules and Materials for Excitonic Solar Cells Using P-type Metal Oxide Semiconductors.

Degree: 2015, University of North Texas

 This dissertation has two intersecting foci; firstly, the discovery of a new methodology for the growth of high surface area cuprous oxide (Cu2O) substrates. Secondly,… (more)

Subjects/Keywords: dye- sensitized; solar; DSC; p-type; excitonic; organic; chemistry; Solar cells.; Metal oxide semiconductors.; Zinc oxide thin films.

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APA (6th Edition):

Haynes, K. M. (2015). Molecules and Materials for Excitonic Solar Cells Using P-type Metal Oxide Semiconductors. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc804970/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Haynes, Keith M. “Molecules and Materials for Excitonic Solar Cells Using P-type Metal Oxide Semiconductors.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc804970/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Haynes, Keith M. “Molecules and Materials for Excitonic Solar Cells Using P-type Metal Oxide Semiconductors.” 2015. Web. 29 Nov 2020.

Vancouver:

Haynes KM. Molecules and Materials for Excitonic Solar Cells Using P-type Metal Oxide Semiconductors. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc804970/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Haynes KM. Molecules and Materials for Excitonic Solar Cells Using P-type Metal Oxide Semiconductors. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc804970/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

24. Kinyanjui, Sophia Nduta. Biological Applications of a Strongly Luminescent Platinum (II) Complex in Reactive Oxygen Species Scavenging and Hypoxia Imaging in Caenorhabditis elegans.

Degree: 2015, University of North Texas

 Phosphorescent transition metal complexes make up an important group of compounds that continues to attract intense research owing to their intrinsic bioimaging applications that arise… (more)

Subjects/Keywords: C. elegans; phosphorescence; PtPOP; ROS scavenging; hypoxia; Caenorhabditis elegans.; Anoxemia.; Imaging systems in biology.; Luminescence spectroscopy.; Platinum  – Spectra.

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APA (6th Edition):

Kinyanjui, S. N. (2015). Biological Applications of a Strongly Luminescent Platinum (II) Complex in Reactive Oxygen Species Scavenging and Hypoxia Imaging in Caenorhabditis elegans. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc822774/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Kinyanjui, Sophia Nduta. “Biological Applications of a Strongly Luminescent Platinum (II) Complex in Reactive Oxygen Species Scavenging and Hypoxia Imaging in Caenorhabditis elegans.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc822774/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Kinyanjui, Sophia Nduta. “Biological Applications of a Strongly Luminescent Platinum (II) Complex in Reactive Oxygen Species Scavenging and Hypoxia Imaging in Caenorhabditis elegans.” 2015. Web. 29 Nov 2020.

Vancouver:

Kinyanjui SN. Biological Applications of a Strongly Luminescent Platinum (II) Complex in Reactive Oxygen Species Scavenging and Hypoxia Imaging in Caenorhabditis elegans. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc822774/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kinyanjui SN. Biological Applications of a Strongly Luminescent Platinum (II) Complex in Reactive Oxygen Species Scavenging and Hypoxia Imaging in Caenorhabditis elegans. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc822774/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

25. Peterson, Charles Campbell. Accurate Energetics Across the Periodic Table Via Quantum Chemistry.

Degree: 2015, University of North Texas

 Greater understanding and accurate predictions of structural, thermochemical, and spectroscopic properties of chemical compounds is critical for the advancements of not only basic science, but… (more)

Subjects/Keywords: computational quantum composite; chemical compounds; heavy element systems; Rare earth metal compounds.; Transition metals.; Quantum chemistry.

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Peterson, C. C. (2015). Accurate Energetics Across the Periodic Table Via Quantum Chemistry. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc822822/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Peterson, Charles Campbell. “Accurate Energetics Across the Periodic Table Via Quantum Chemistry.” 2015. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc822822/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Peterson, Charles Campbell. “Accurate Energetics Across the Periodic Table Via Quantum Chemistry.” 2015. Web. 29 Nov 2020.

Vancouver:

Peterson CC. Accurate Energetics Across the Periodic Table Via Quantum Chemistry. [Internet] [Thesis]. University of North Texas; 2015. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc822822/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Peterson CC. Accurate Energetics Across the Periodic Table Via Quantum Chemistry. [Thesis]. University of North Texas; 2015. Available from: https://digital.library.unt.edu/ark:/67531/metadc822822/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

26. Mahler, Andrew. The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations.

Degree: 2016, University of North Texas

 In the exploration of chemical systems through quantum mechanics, accurate treatment of the electron wavefunction, and the related electron density, is fundamental to extracting information… (more)

Subjects/Keywords: Physical Chemistry; Theoretical Chemistry; Basis Sets; Wavefunction; Explicitly Correlated; Density Functional Theory; Chemistry, Physical

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Mahler, A. (2016). The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc849642/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Mahler, Andrew. “The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations.” 2016. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc849642/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Mahler, Andrew. “The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations.” 2016. Web. 29 Nov 2020.

Vancouver:

Mahler A. The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations. [Internet] [Thesis]. University of North Texas; 2016. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc849642/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mahler A. The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations. [Thesis]. University of North Texas; 2016. Available from: https://digital.library.unt.edu/ark:/67531/metadc849642/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

27. Ceylan, Yavuz Selim. Exploration of Transition Metal-Containing Catalytic Cycles via Computational Methods.

Degree: 2019, University of North Texas

 Styrene production by a (FlDAB)PdII(TFA)(η2-C2H4) complex was modeled using density functional theory (DFT). Benzene C-H activation by this complex was studied via five mechanisms: oxidative… (more)

Subjects/Keywords: catalyst; theoretical chemistry; DFT; NBO; transition metal; MCSCF; metal containing catalytic cycles; computational methods; catalytical cycles; cundari; yavuz; Chemistry, Inorganic; Chemistry, Physical; Chemistry, Agricultural

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Ceylan, Y. S. (2019). Exploration of Transition Metal-Containing Catalytic Cycles via Computational Methods. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1505287/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Ceylan, Yavuz Selim. “Exploration of Transition Metal-Containing Catalytic Cycles via Computational Methods.” 2019. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc1505287/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Ceylan, Yavuz Selim. “Exploration of Transition Metal-Containing Catalytic Cycles via Computational Methods.” 2019. Web. 29 Nov 2020.

Vancouver:

Ceylan YS. Exploration of Transition Metal-Containing Catalytic Cycles via Computational Methods. [Internet] [Thesis]. University of North Texas; 2019. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505287/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Ceylan YS. Exploration of Transition Metal-Containing Catalytic Cycles via Computational Methods. [Thesis]. University of North Texas; 2019. Available from: https://digital.library.unt.edu/ark:/67531/metadc1505287/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

28. Kaipa, Ushasree. Synthesis and Characterization of Two and Three Coordinate Gold (I) Conjugated and Rigid Metallodendrimers.

Degree: 2012, University of North Texas

 This dissertation is a study of two major topics that involve synthetic strategies for new classes of phosphorescent gold(I)-based metallodendrimers. The phosphorescence of organic and… (more)

Subjects/Keywords: Metallodendrimers; conjugated and photoluminescence

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Kaipa, U. (2012). Synthesis and Characterization of Two and Three Coordinate Gold (I) Conjugated and Rigid Metallodendrimers. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc149678/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Kaipa, Ushasree. “Synthesis and Characterization of Two and Three Coordinate Gold (I) Conjugated and Rigid Metallodendrimers.” 2012. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc149678/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Kaipa, Ushasree. “Synthesis and Characterization of Two and Three Coordinate Gold (I) Conjugated and Rigid Metallodendrimers.” 2012. Web. 29 Nov 2020.

Vancouver:

Kaipa U. Synthesis and Characterization of Two and Three Coordinate Gold (I) Conjugated and Rigid Metallodendrimers. [Internet] [Thesis]. University of North Texas; 2012. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc149678/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kaipa U. Synthesis and Characterization of Two and Three Coordinate Gold (I) Conjugated and Rigid Metallodendrimers. [Thesis]. University of North Texas; 2012. Available from: https://digital.library.unt.edu/ark:/67531/metadc149678/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

29. Chilukuri, Bhaskar. Rational Design of Metal-organic Electronic Devices: a Computational Perspective.

Degree: 2012, University of North Texas

 Organic and organometallic electronic materials continue to attract considerable attention among researchers due to their cost effectiveness, high flexibility, low temperature processing conditions and the… (more)

Subjects/Keywords: Organic electronics; organometallic chemistry; interfaces; computational chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Chilukuri, B. (2012). Rational Design of Metal-organic Electronic Devices: a Computational Perspective. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc177188/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Chilukuri, Bhaskar. “Rational Design of Metal-organic Electronic Devices: a Computational Perspective.” 2012. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc177188/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Chilukuri, Bhaskar. “Rational Design of Metal-organic Electronic Devices: a Computational Perspective.” 2012. Web. 29 Nov 2020.

Vancouver:

Chilukuri B. Rational Design of Metal-organic Electronic Devices: a Computational Perspective. [Internet] [Thesis]. University of North Texas; 2012. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc177188/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Chilukuri B. Rational Design of Metal-organic Electronic Devices: a Computational Perspective. [Thesis]. University of North Texas; 2012. Available from: https://digital.library.unt.edu/ark:/67531/metadc177188/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of North Texas

30. Gonzalez, Hector Emanuel. Group 10 Catalyzed Olefin Hydroarylation.

Degree: 2012, University of North Texas

 Alkyl-arenes are important industry feedstock chemicals that are used as solvents, pharmaceutical precursors, and polymer monomer units. One alkyl-arene, ethylbenzene, is the main focus of… (more)

Subjects/Keywords: Hydroarylation; catalysis; Ni; Pt

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Gonzalez, H. E. (2012). Group 10 Catalyzed Olefin Hydroarylation. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc177201/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Gonzalez, Hector Emanuel. “Group 10 Catalyzed Olefin Hydroarylation.” 2012. Thesis, University of North Texas. Accessed November 29, 2020. https://digital.library.unt.edu/ark:/67531/metadc177201/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Gonzalez, Hector Emanuel. “Group 10 Catalyzed Olefin Hydroarylation.” 2012. Web. 29 Nov 2020.

Vancouver:

Gonzalez HE. Group 10 Catalyzed Olefin Hydroarylation. [Internet] [Thesis]. University of North Texas; 2012. [cited 2020 Nov 29]. Available from: https://digital.library.unt.edu/ark:/67531/metadc177201/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Gonzalez HE. Group 10 Catalyzed Olefin Hydroarylation. [Thesis]. University of North Texas; 2012. Available from: https://digital.library.unt.edu/ark:/67531/metadc177201/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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