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You searched for subject:(spin current density functional theory). Showing records 1 – 30 of 85620 total matches.

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University of Saskatchewan

1. Desmarais, Jacques K. Development of Tools for the Study of Heavy-Element Containing Periodic Systems in the CRYSTAL Code and their Application.

Degree: 2020, University of Saskatchewan

 This thesis investigates the development of first-principles methods for the study of heavy-element containing periodic systems, as well as their application, in particular to crystalline… (more)

Subjects/Keywords: ab initio methods; rare earth elements; lanthanides; spin-orbit coupling; spin-current density functional theory; CRYSTAL program

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APA (6th Edition):

Desmarais, J. K. (2020). Development of Tools for the Study of Heavy-Element Containing Periodic Systems in the CRYSTAL Code and their Application. (Thesis). University of Saskatchewan. Retrieved from http://hdl.handle.net/10388/13055

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):

Desmarais, Jacques K. “Development of Tools for the Study of Heavy-Element Containing Periodic Systems in the CRYSTAL Code and their Application.” 2020. Thesis, University of Saskatchewan. Accessed October 20, 2020. http://hdl.handle.net/10388/13055.

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

MLA Handbook (7th Edition):

Desmarais, Jacques K. “Development of Tools for the Study of Heavy-Element Containing Periodic Systems in the CRYSTAL Code and their Application.” 2020. Web. 20 Oct 2020.

Vancouver:

Desmarais JK. Development of Tools for the Study of Heavy-Element Containing Periodic Systems in the CRYSTAL Code and their Application. [Internet] [Thesis]. University of Saskatchewan; 2020. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/10388/13055.

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

Council of Science Editors:

Desmarais JK. Development of Tools for the Study of Heavy-Element Containing Periodic Systems in the CRYSTAL Code and their Application. [Thesis]. University of Saskatchewan; 2020. Available from: http://hdl.handle.net/10388/13055

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

2. Saarikoski, Henri. Density-Functional Approaches to Interacting Electrons in Quantum Dots.

Degree: 2003, Helsinki University of Technology

Quantum dots are man-made nanoscale structures. As they show typical atomic properties they are often referred to as artificial atoms. The wave functions, shell structure,… (more)

Subjects/Keywords: spin-density-functional theory; current-spin-density-functional theory; density-functional approach; quantum dot

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APA (6th Edition):

Saarikoski, H. (2003). Density-Functional Approaches to Interacting Electrons in Quantum Dots. (Thesis). Helsinki University of Technology. Retrieved from http://lib.tkk.fi/Diss/2003/isbn9512267098/

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):

Saarikoski, Henri. “Density-Functional Approaches to Interacting Electrons in Quantum Dots.” 2003. Thesis, Helsinki University of Technology. Accessed October 20, 2020. http://lib.tkk.fi/Diss/2003/isbn9512267098/.

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

MLA Handbook (7th Edition):

Saarikoski, Henri. “Density-Functional Approaches to Interacting Electrons in Quantum Dots.” 2003. Web. 20 Oct 2020.

Vancouver:

Saarikoski H. Density-Functional Approaches to Interacting Electrons in Quantum Dots. [Internet] [Thesis]. Helsinki University of Technology; 2003. [cited 2020 Oct 20]. Available from: http://lib.tkk.fi/Diss/2003/isbn9512267098/.

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

Council of Science Editors:

Saarikoski H. Density-Functional Approaches to Interacting Electrons in Quantum Dots. [Thesis]. Helsinki University of Technology; 2003. Available from: http://lib.tkk.fi/Diss/2003/isbn9512267098/

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


Brigham Young University

3. Jensen, Daniel S. Real-Space Approach to Time Dependent Current Density Functional Theory.

Degree: MS, 2010, Brigham Young University

  A real-space time-domain calculation of the frequency-dependent dielectric constant of nonmetallic crystals is outlined and the integrals required for this calculation are computed. The… (more)

Subjects/Keywords: Time dependent current density functional theory; density functional theory; molecular integrals; Astrophysics and Astronomy; Physics

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APA (6th Edition):

Jensen, D. S. (2010). Real-Space Approach to Time Dependent Current Density Functional Theory. (Masters Thesis). Brigham Young University. Retrieved from https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd

Chicago Manual of Style (16th Edition):

Jensen, Daniel S. “Real-Space Approach to Time Dependent Current Density Functional Theory.” 2010. Masters Thesis, Brigham Young University. Accessed October 20, 2020. https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd.

MLA Handbook (7th Edition):

Jensen, Daniel S. “Real-Space Approach to Time Dependent Current Density Functional Theory.” 2010. Web. 20 Oct 2020.

Vancouver:

Jensen DS. Real-Space Approach to Time Dependent Current Density Functional Theory. [Internet] [Masters thesis]. Brigham Young University; 2010. [cited 2020 Oct 20]. Available from: https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd.

Council of Science Editors:

Jensen DS. Real-Space Approach to Time Dependent Current Density Functional Theory. [Masters Thesis]. Brigham Young University; 2010. Available from: https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=3558&context=etd


University of Toronto

4. Venkataraman, Vijay Shankar. Perspectives from Ab-initio and Tight-binding: Applications to Transition Metal Compounds and Superlattices.

Degree: PhD, 2016, University of Toronto

 The experimental and theoretical study of transition metal compounds have occupied condensed matter physicists for the best part of the last century. The rich variety… (more)

Subjects/Keywords: density functional theory; magnetism; spin-orbit coupling; strongly correlated systems; 0611

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APA (6th Edition):

Venkataraman, V. S. (2016). Perspectives from Ab-initio and Tight-binding: Applications to Transition Metal Compounds and Superlattices. (Doctoral Dissertation). University of Toronto. Retrieved from http://hdl.handle.net/1807/73205

Chicago Manual of Style (16th Edition):

Venkataraman, Vijay Shankar. “Perspectives from Ab-initio and Tight-binding: Applications to Transition Metal Compounds and Superlattices.” 2016. Doctoral Dissertation, University of Toronto. Accessed October 20, 2020. http://hdl.handle.net/1807/73205.

MLA Handbook (7th Edition):

Venkataraman, Vijay Shankar. “Perspectives from Ab-initio and Tight-binding: Applications to Transition Metal Compounds and Superlattices.” 2016. Web. 20 Oct 2020.

Vancouver:

Venkataraman VS. Perspectives from Ab-initio and Tight-binding: Applications to Transition Metal Compounds and Superlattices. [Internet] [Doctoral dissertation]. University of Toronto; 2016. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1807/73205.

Council of Science Editors:

Venkataraman VS. Perspectives from Ab-initio and Tight-binding: Applications to Transition Metal Compounds and Superlattices. [Doctoral Dissertation]. University of Toronto; 2016. Available from: http://hdl.handle.net/1807/73205


University of Georgia

5. Paul, Ankan. On the electron affinities of perfluoroalkanes.

Degree: 2014, University of Georgia

 The electron affinities of several perfluorolalkane (PFA) molecules have been investigated employing hybrid and pure density functional methods. The optimum structures of the neutral PFAs… (more)

Subjects/Keywords: Perfluoroalkanes; Tertiary C-F bonds; Density Functional Theory; Electron Affinity; and Spin Density.

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APA (6th Edition):

Paul, A. (2014). On the electron affinities of perfluoroalkanes. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/22473

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):

Paul, Ankan. “On the electron affinities of perfluoroalkanes.” 2014. Thesis, University of Georgia. Accessed October 20, 2020. http://hdl.handle.net/10724/22473.

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

MLA Handbook (7th Edition):

Paul, Ankan. “On the electron affinities of perfluoroalkanes.” 2014. Web. 20 Oct 2020.

Vancouver:

Paul A. On the electron affinities of perfluoroalkanes. [Internet] [Thesis]. University of Georgia; 2014. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/10724/22473.

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

Council of Science Editors:

Paul A. On the electron affinities of perfluoroalkanes. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/22473

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


University of Lund

6. Nossa Márquez, Javier Francisco. Nanospintronics with Molecular Magnets - Tunneling and Spin-Electric Coupling.

Degree: 2013, University of Lund

 This dissertation investigates theoretically electric control of the magnetic properties of molecular magnets. Two classes of magnetic molecules are considered. The first class consists of… (more)

Subjects/Keywords: Engineering and Technology; Molecular magnets; spin exchange; spin-orbit interaction; magnetic anisotropy; spin frustration; spin chirality; spin-electric control; quantum transport; Coulomb blockade; density functional theory; quantum master equation.

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APA (6th Edition):

Nossa Márquez, J. F. (2013). Nanospintronics with Molecular Magnets - Tunneling and Spin-Electric Coupling. (Doctoral Dissertation). University of Lund. Retrieved from https://lup.lub.lu.se/record/3972091 ; https://portal.research.lu.se/ws/files/6033213/3972095.pdf

Chicago Manual of Style (16th Edition):

Nossa Márquez, Javier Francisco. “Nanospintronics with Molecular Magnets - Tunneling and Spin-Electric Coupling.” 2013. Doctoral Dissertation, University of Lund. Accessed October 20, 2020. https://lup.lub.lu.se/record/3972091 ; https://portal.research.lu.se/ws/files/6033213/3972095.pdf.

MLA Handbook (7th Edition):

Nossa Márquez, Javier Francisco. “Nanospintronics with Molecular Magnets - Tunneling and Spin-Electric Coupling.” 2013. Web. 20 Oct 2020.

Vancouver:

Nossa Márquez JF. Nanospintronics with Molecular Magnets - Tunneling and Spin-Electric Coupling. [Internet] [Doctoral dissertation]. University of Lund; 2013. [cited 2020 Oct 20]. Available from: https://lup.lub.lu.se/record/3972091 ; https://portal.research.lu.se/ws/files/6033213/3972095.pdf.

Council of Science Editors:

Nossa Márquez JF. Nanospintronics with Molecular Magnets - Tunneling and Spin-Electric Coupling. [Doctoral Dissertation]. University of Lund; 2013. Available from: https://lup.lub.lu.se/record/3972091 ; https://portal.research.lu.se/ws/files/6033213/3972095.pdf


University of North Texas

7. Wang, Haihang. PAOFLOW-Aided Computational Materials Design.

Degree: 2019, University of North Texas

Functional materials are essential to human welfare and to provide foundations for emerging industries. As an alternative route to experimental materials discovery, computational materials designs… (more)

Subjects/Keywords: Density Functional Theory; Electronic Structure; Computational Materials Design; Transparent Conducting Oxide; Spintronics; Spin Hall Conductivity

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APA (6th Edition):

Wang, H. (2019). PAOFLOW-Aided Computational Materials Design. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1609102/

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, Haihang. “PAOFLOW-Aided Computational Materials Design.” 2019. Thesis, University of North Texas. Accessed October 20, 2020. https://digital.library.unt.edu/ark:/67531/metadc1609102/.

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

MLA Handbook (7th Edition):

Wang, Haihang. “PAOFLOW-Aided Computational Materials Design.” 2019. Web. 20 Oct 2020.

Vancouver:

Wang H. PAOFLOW-Aided Computational Materials Design. [Internet] [Thesis]. University of North Texas; 2019. [cited 2020 Oct 20]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1609102/.

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

Council of Science Editors:

Wang H. PAOFLOW-Aided Computational Materials Design. [Thesis]. University of North Texas; 2019. Available from: https://digital.library.unt.edu/ark:/67531/metadc1609102/

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

8. GALANTE, MARIO. Multi-scale analysis of current-driven spin dynamics in magnetic tunnel junctions.

Degree: School of Physics. Discipline of Physics, 2020, Trinity College Dublin

 Magnetic materials are of fundamental importance for the next generation of sensing and storage applications. The operating principle of such devices is based upon manipulating… (more)

Subjects/Keywords: quantum transport; density functional theory; atomistic spin dynamics; magnetic tunnel junctions; antiferromagnetic spintronics; Gilbert damping

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APA (6th Edition):

GALANTE, M. (2020). Multi-scale analysis of current-driven spin dynamics in magnetic tunnel junctions. (Thesis). Trinity College Dublin. Retrieved from http://hdl.handle.net/2262/91664

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):

GALANTE, MARIO. “Multi-scale analysis of current-driven spin dynamics in magnetic tunnel junctions.” 2020. Thesis, Trinity College Dublin. Accessed October 20, 2020. http://hdl.handle.net/2262/91664.

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

MLA Handbook (7th Edition):

GALANTE, MARIO. “Multi-scale analysis of current-driven spin dynamics in magnetic tunnel junctions.” 2020. Web. 20 Oct 2020.

Vancouver:

GALANTE M. Multi-scale analysis of current-driven spin dynamics in magnetic tunnel junctions. [Internet] [Thesis]. Trinity College Dublin; 2020. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/2262/91664.

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

Council of Science Editors:

GALANTE M. Multi-scale analysis of current-driven spin dynamics in magnetic tunnel junctions. [Thesis]. Trinity College Dublin; 2020. Available from: http://hdl.handle.net/2262/91664

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


University of Melbourne

9. Gransbury, Gemma Kate. Valence tautomerism and exchange interactions in cobalt-dioxolene complexes.

Degree: 2019, University of Melbourne

 This thesis presents an experimental and computational investigation of cobalt and cobalt-dioxolene complexes, focusing on valence tautomeric (VT) behavior, single-molecule magnet (SMM) properties and magnetic… (more)

Subjects/Keywords: cobalt; dioxolene; semiquinonate; valence tautomerism; exchange coupling; density functional theory; RASSCF; spin-orbit coupling; radical

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APA (6th Edition):

Gransbury, G. K. (2019). Valence tautomerism and exchange interactions in cobalt-dioxolene complexes. (Doctoral Dissertation). University of Melbourne. Retrieved from http://hdl.handle.net/11343/225780

Chicago Manual of Style (16th Edition):

Gransbury, Gemma Kate. “Valence tautomerism and exchange interactions in cobalt-dioxolene complexes.” 2019. Doctoral Dissertation, University of Melbourne. Accessed October 20, 2020. http://hdl.handle.net/11343/225780.

MLA Handbook (7th Edition):

Gransbury, Gemma Kate. “Valence tautomerism and exchange interactions in cobalt-dioxolene complexes.” 2019. Web. 20 Oct 2020.

Vancouver:

Gransbury GK. Valence tautomerism and exchange interactions in cobalt-dioxolene complexes. [Internet] [Doctoral dissertation]. University of Melbourne; 2019. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/11343/225780.

Council of Science Editors:

Gransbury GK. Valence tautomerism and exchange interactions in cobalt-dioxolene complexes. [Doctoral Dissertation]. University of Melbourne; 2019. Available from: http://hdl.handle.net/11343/225780

10. wang, lei. Flow Equation Approach to the Hybrid DFT  – Anderson Model Description of Actinide Compounds.

Degree: PhD, Physics, 2016, Brown University

 Safe storage and disposal of spent fuel rods from nuclear power plants calls for the ability to model actinide complexes and compounds in the environment.… (more)

Subjects/Keywords: Density Functional Theory

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APA (6th Edition):

wang, l. (2016). Flow Equation Approach to the Hybrid DFT  – Anderson Model Description of Actinide Compounds. (Doctoral Dissertation). Brown University. Retrieved from https://repository.library.brown.edu/studio/item/bdr:674096/

Chicago Manual of Style (16th Edition):

wang, lei. “Flow Equation Approach to the Hybrid DFT  – Anderson Model Description of Actinide Compounds.” 2016. Doctoral Dissertation, Brown University. Accessed October 20, 2020. https://repository.library.brown.edu/studio/item/bdr:674096/.

MLA Handbook (7th Edition):

wang, lei. “Flow Equation Approach to the Hybrid DFT  – Anderson Model Description of Actinide Compounds.” 2016. Web. 20 Oct 2020.

Vancouver:

wang l. Flow Equation Approach to the Hybrid DFT  – Anderson Model Description of Actinide Compounds. [Internet] [Doctoral dissertation]. Brown University; 2016. [cited 2020 Oct 20]. Available from: https://repository.library.brown.edu/studio/item/bdr:674096/.

Council of Science Editors:

wang l. Flow Equation Approach to the Hybrid DFT  – Anderson Model Description of Actinide Compounds. [Doctoral Dissertation]. Brown University; 2016. Available from: https://repository.library.brown.edu/studio/item/bdr:674096/


Wake Forest University

11. Arter, Calvin. FIRST-PRINCIPLES MODELING OF MOF74 FOR GAS SEQUESTRATION AND STORAGE APPLICATIONS.

Degree: 2016, Wake Forest University

 The problems associated with anthropogenic climate change arise from the reliance on fossil fuels for energy and the greenhouse gas emissions that are produced. A… (more)

Subjects/Keywords: Density Functional Theory

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APA (6th Edition):

Arter, C. (2016). FIRST-PRINCIPLES MODELING OF MOF74 FOR GAS SEQUESTRATION AND STORAGE APPLICATIONS. (Thesis). Wake Forest University. Retrieved from http://hdl.handle.net/10339/59283

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):

Arter, Calvin. “FIRST-PRINCIPLES MODELING OF MOF74 FOR GAS SEQUESTRATION AND STORAGE APPLICATIONS.” 2016. Thesis, Wake Forest University. Accessed October 20, 2020. http://hdl.handle.net/10339/59283.

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

MLA Handbook (7th Edition):

Arter, Calvin. “FIRST-PRINCIPLES MODELING OF MOF74 FOR GAS SEQUESTRATION AND STORAGE APPLICATIONS.” 2016. Web. 20 Oct 2020.

Vancouver:

Arter C. FIRST-PRINCIPLES MODELING OF MOF74 FOR GAS SEQUESTRATION AND STORAGE APPLICATIONS. [Internet] [Thesis]. Wake Forest University; 2016. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/10339/59283.

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

Council of Science Editors:

Arter C. FIRST-PRINCIPLES MODELING OF MOF74 FOR GAS SEQUESTRATION AND STORAGE APPLICATIONS. [Thesis]. Wake Forest University; 2016. Available from: http://hdl.handle.net/10339/59283

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


East Tennessee State University

12. Acheampong, Edward. Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation.

Degree: MS, Chemistry, 2018, East Tennessee State University

  Guanine is generally accepted as the most easily oxidized DNA base when cells are subjected to ionizing radiation, photoionization or photosensitization. At pH 7,… (more)

Subjects/Keywords: Guanine Radical Cation; Cysteine; Tyrosine; Histidine; Tryptophan; Proton/Electron Transfer; Spin Density; Density Functional Theory; Physical Chemistry

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APA (6th Edition):

Acheampong, E. (2018). Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation. (Masters Thesis). East Tennessee State University. Retrieved from https://dc.etsu.edu/etd/3489

Chicago Manual of Style (16th Edition):

Acheampong, Edward. “Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation.” 2018. Masters Thesis, East Tennessee State University. Accessed October 20, 2020. https://dc.etsu.edu/etd/3489.

MLA Handbook (7th Edition):

Acheampong, Edward. “Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation.” 2018. Web. 20 Oct 2020.

Vancouver:

Acheampong E. Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation. [Internet] [Masters thesis]. East Tennessee State University; 2018. [cited 2020 Oct 20]. Available from: https://dc.etsu.edu/etd/3489.

Council of Science Editors:

Acheampong E. Computational Quantum Chemistry Studies of the Interactions of Amino Acids Side Chains with the Guanine Radical Cation. [Masters Thesis]. East Tennessee State University; 2018. Available from: https://dc.etsu.edu/etd/3489


Freie Universität Berlin

13. Pittalis, Stefano. Spinor-orbital Funktionale und die Methode des Optimierten effektiven Potentials.

Degree: 2008, Freie Universität Berlin

 Die Beschreibung von Systemem wechselwirkender Elektronen in magnetischen Feldern im Rahmen der Dichtefunktionaltheorie erfordert die Verwendung der Strom- und Magnetisierungsdichten als zusaetzliche fundamentale Variablen neben… (more)

Subjects/Keywords: current-spin-density-functional theory; orbital functionals; optimized effective methods; 500 Naturwissenschaften und Mathematik::530 Physik

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APA (6th Edition):

Pittalis, S. (2008). Spinor-orbital Funktionale und die Methode des Optimierten effektiven Potentials. (Thesis). Freie Universität Berlin. Retrieved from http://dx.doi.org/10.17169/refubium-6533

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):

Pittalis, Stefano. “Spinor-orbital Funktionale und die Methode des Optimierten effektiven Potentials.” 2008. Thesis, Freie Universität Berlin. Accessed October 20, 2020. http://dx.doi.org/10.17169/refubium-6533.

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

MLA Handbook (7th Edition):

Pittalis, Stefano. “Spinor-orbital Funktionale und die Methode des Optimierten effektiven Potentials.” 2008. Web. 20 Oct 2020.

Vancouver:

Pittalis S. Spinor-orbital Funktionale und die Methode des Optimierten effektiven Potentials. [Internet] [Thesis]. Freie Universität Berlin; 2008. [cited 2020 Oct 20]. Available from: http://dx.doi.org/10.17169/refubium-6533.

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

Council of Science Editors:

Pittalis S. Spinor-orbital Funktionale und die Methode des Optimierten effektiven Potentials. [Thesis]. Freie Universität Berlin; 2008. Available from: http://dx.doi.org/10.17169/refubium-6533

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


Louisiana State University

14. Kiruri, Lucy W. Experimental and Computational Studies of Environmentally Persistent Free Radicals (EPFRs) Formation.

Degree: PhD, Chemistry, 2013, Louisiana State University

 The first part of the thesis investigates the use of theoretical quantum calculations for the study of EPFRs as the initial and fundamental step in… (more)

Subjects/Keywords: EPFRs; density functional theory; reactive oxygen species (ROS); bader analysis; copper oxide clusters; spin trapping; aluminum oxide clusters

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APA (6th Edition):

Kiruri, L. W. (2013). Experimental and Computational Studies of Environmentally Persistent Free Radicals (EPFRs) Formation. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-11052013-134945 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3316

Chicago Manual of Style (16th Edition):

Kiruri, Lucy W. “Experimental and Computational Studies of Environmentally Persistent Free Radicals (EPFRs) Formation.” 2013. Doctoral Dissertation, Louisiana State University. Accessed October 20, 2020. etd-11052013-134945 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3316.

MLA Handbook (7th Edition):

Kiruri, Lucy W. “Experimental and Computational Studies of Environmentally Persistent Free Radicals (EPFRs) Formation.” 2013. Web. 20 Oct 2020.

Vancouver:

Kiruri LW. Experimental and Computational Studies of Environmentally Persistent Free Radicals (EPFRs) Formation. [Internet] [Doctoral dissertation]. Louisiana State University; 2013. [cited 2020 Oct 20]. Available from: etd-11052013-134945 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3316.

Council of Science Editors:

Kiruri LW. Experimental and Computational Studies of Environmentally Persistent Free Radicals (EPFRs) Formation. [Doctoral Dissertation]. Louisiana State University; 2013. Available from: etd-11052013-134945 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3316


University of Maryland

15. Perrotta, Raffaele Romano. Characterization and Investigation of Benzylic Carbenium Ion and Carbanion Ion-Diradical Intermediates With 3,5-Disubstituted (pi)-Donors/Acceptors.

Degree: Chemistry, 2012, University of Maryland

 High-spin magnetic materials have been based on monomeric units that contain metals. Far less research has been done to develop and characterize alternative high-spin building… (more)

Subjects/Keywords: Organic chemistry; Materials Science; Density Functional Theory Computations; High-Spin Building Blocks; Ion-Diradicals; Physical Organic Chemistry; Triplet Diradicals

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APA (6th Edition):

Perrotta, R. R. (2012). Characterization and Investigation of Benzylic Carbenium Ion and Carbanion Ion-Diradical Intermediates With 3,5-Disubstituted (pi)-Donors/Acceptors. (Thesis). University of Maryland. Retrieved from http://hdl.handle.net/1903/13637

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):

Perrotta, Raffaele Romano. “Characterization and Investigation of Benzylic Carbenium Ion and Carbanion Ion-Diradical Intermediates With 3,5-Disubstituted (pi)-Donors/Acceptors.” 2012. Thesis, University of Maryland. Accessed October 20, 2020. http://hdl.handle.net/1903/13637.

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

MLA Handbook (7th Edition):

Perrotta, Raffaele Romano. “Characterization and Investigation of Benzylic Carbenium Ion and Carbanion Ion-Diradical Intermediates With 3,5-Disubstituted (pi)-Donors/Acceptors.” 2012. Web. 20 Oct 2020.

Vancouver:

Perrotta RR. Characterization and Investigation of Benzylic Carbenium Ion and Carbanion Ion-Diradical Intermediates With 3,5-Disubstituted (pi)-Donors/Acceptors. [Internet] [Thesis]. University of Maryland; 2012. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1903/13637.

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

Council of Science Editors:

Perrotta RR. Characterization and Investigation of Benzylic Carbenium Ion and Carbanion Ion-Diradical Intermediates With 3,5-Disubstituted (pi)-Donors/Acceptors. [Thesis]. University of Maryland; 2012. Available from: http://hdl.handle.net/1903/13637

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


University of Georgia

16. Pillai, Emmanuel Dinesh. Infrared spectroscopy and density functional theory of transition metal - nitrogen complexes.

Degree: 2014, University of Georgia

 +Transition metal (TM) cation - nitrogen complexes of the form TM(N2)n are investigated via infrared photodissociation spectroscopy (IRPD) and density functional theory (DFT). The bonding… (more)

Subjects/Keywords: Ion Spectroscopy; Infrared Photodissociation; Metal-Nitrogen Complexes; Density Functional Theory; Spin-State Isomers; Metal Ion Solvation; Clusters; Mass Spectrometry; Molecular Beams

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

APA (6th Edition):

Pillai, E. D. (2014). Infrared spectroscopy and density functional theory of transition metal - nitrogen complexes. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/23959

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):

Pillai, Emmanuel Dinesh. “Infrared spectroscopy and density functional theory of transition metal - nitrogen complexes.” 2014. Thesis, University of Georgia. Accessed October 20, 2020. http://hdl.handle.net/10724/23959.

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

MLA Handbook (7th Edition):

Pillai, Emmanuel Dinesh. “Infrared spectroscopy and density functional theory of transition metal - nitrogen complexes.” 2014. Web. 20 Oct 2020.

Vancouver:

Pillai ED. Infrared spectroscopy and density functional theory of transition metal - nitrogen complexes. [Internet] [Thesis]. University of Georgia; 2014. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/10724/23959.

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

Council of Science Editors:

Pillai ED. Infrared spectroscopy and density functional theory of transition metal - nitrogen complexes. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/23959

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


Tulane University

17. Dougherty, Kelly J. Synthesis of compounds with very large specific rotations.

Degree: 2020, Tulane University

[email protected]

A search in a research database for “large specific rotation” or anything similar produces few articles. Large specific rotation is not commonly used… (more)

Subjects/Keywords: time-dependent density functional theory

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APA (6th Edition):

Dougherty, K. J. (2020). Synthesis of compounds with very large specific rotations. (Thesis). Tulane University. Retrieved from https://digitallibrary.tulane.edu/islandora/object/tulane:120370

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):

Dougherty, Kelly J. “Synthesis of compounds with very large specific rotations.” 2020. Thesis, Tulane University. Accessed October 20, 2020. https://digitallibrary.tulane.edu/islandora/object/tulane:120370.

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

MLA Handbook (7th Edition):

Dougherty, Kelly J. “Synthesis of compounds with very large specific rotations.” 2020. Web. 20 Oct 2020.

Vancouver:

Dougherty KJ. Synthesis of compounds with very large specific rotations. [Internet] [Thesis]. Tulane University; 2020. [cited 2020 Oct 20]. Available from: https://digitallibrary.tulane.edu/islandora/object/tulane:120370.

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

Council of Science Editors:

Dougherty KJ. Synthesis of compounds with very large specific rotations. [Thesis]. Tulane University; 2020. Available from: https://digitallibrary.tulane.edu/islandora/object/tulane:120370

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


University of New South Wales

18. Pham, Anh. Theoretical investigation of novel spin-polarized materials for spintronic applications.

Degree: Materials Science & Engineering, 2014, University of New South Wales

 Development of spin-polarized materials is important for the realization of spintronic devices. Two approaches are taken: (i) investigating magnetism in diluted magnetic semiconductors (DMSs), and… (more)

Subjects/Keywords: Magnetism; Density functional theory; Spintronics

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APA (6th Edition):

Pham, A. (2014). Theoretical investigation of novel spin-polarized materials for spintronic applications. (Doctoral Dissertation). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/54145 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:13290/SOURCE02?view=true

Chicago Manual of Style (16th Edition):

Pham, Anh. “Theoretical investigation of novel spin-polarized materials for spintronic applications.” 2014. Doctoral Dissertation, University of New South Wales. Accessed October 20, 2020. http://handle.unsw.edu.au/1959.4/54145 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:13290/SOURCE02?view=true.

MLA Handbook (7th Edition):

Pham, Anh. “Theoretical investigation of novel spin-polarized materials for spintronic applications.” 2014. Web. 20 Oct 2020.

Vancouver:

Pham A. Theoretical investigation of novel spin-polarized materials for spintronic applications. [Internet] [Doctoral dissertation]. University of New South Wales; 2014. [cited 2020 Oct 20]. Available from: http://handle.unsw.edu.au/1959.4/54145 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:13290/SOURCE02?view=true.

Council of Science Editors:

Pham A. Theoretical investigation of novel spin-polarized materials for spintronic applications. [Doctoral Dissertation]. University of New South Wales; 2014. Available from: http://handle.unsw.edu.au/1959.4/54145 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:13290/SOURCE02?view=true


Oregon State University

19. Schulte, Jeff B. Hard spheres within classical density functional theory and Min proteins in Escherichia coli.

Degree: PhD, Physics, 2015, Oregon State University

 This thesis reports on computational research in two different areas. I first discuss the Min-protein system found within Escherichia coli. Following this I discuss an… (more)

Subjects/Keywords: Classical Density Functional Theory; Density functionals

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APA (6th Edition):

Schulte, J. B. (2015). Hard spheres within classical density functional theory and Min proteins in Escherichia coli. (Doctoral Dissertation). Oregon State University. Retrieved from http://hdl.handle.net/1957/55645

Chicago Manual of Style (16th Edition):

Schulte, Jeff B. “Hard spheres within classical density functional theory and Min proteins in Escherichia coli.” 2015. Doctoral Dissertation, Oregon State University. Accessed October 20, 2020. http://hdl.handle.net/1957/55645.

MLA Handbook (7th Edition):

Schulte, Jeff B. “Hard spheres within classical density functional theory and Min proteins in Escherichia coli.” 2015. Web. 20 Oct 2020.

Vancouver:

Schulte JB. Hard spheres within classical density functional theory and Min proteins in Escherichia coli. [Internet] [Doctoral dissertation]. Oregon State University; 2015. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1957/55645.

Council of Science Editors:

Schulte JB. Hard spheres within classical density functional theory and Min proteins in Escherichia coli. [Doctoral Dissertation]. Oregon State University; 2015. Available from: http://hdl.handle.net/1957/55645


University of Oulu

20. Vähäkangas, J. (Jarkko). Extended and finite graphenes:computational studies of magnetic resonance and magneto-optic properties.

Degree: 2016, University of Oulu

 Abstract In this thesis, the magnetic resonance and magneto-optical rotation parameters are studied in single-layer carbon systems of two different dimensionalities. Based on electronic structure… (more)

Subjects/Keywords: Faraday effect; density-functional theory; electron spin resonance; electronic structure; fluorographene; graphane; graphene; nuclear magnetic resonance; nuclear spin optical rotation; spectral parameters

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APA (6th Edition):

Vähäkangas, J. (. (2016). Extended and finite graphenes:computational studies of magnetic resonance and magneto-optic properties. (Doctoral Dissertation). University of Oulu. Retrieved from http://urn.fi/urn:isbn:9789526208619

Chicago Manual of Style (16th Edition):

Vähäkangas, J (Jarkko). “Extended and finite graphenes:computational studies of magnetic resonance and magneto-optic properties.” 2016. Doctoral Dissertation, University of Oulu. Accessed October 20, 2020. http://urn.fi/urn:isbn:9789526208619.

MLA Handbook (7th Edition):

Vähäkangas, J (Jarkko). “Extended and finite graphenes:computational studies of magnetic resonance and magneto-optic properties.” 2016. Web. 20 Oct 2020.

Vancouver:

Vähäkangas J(. Extended and finite graphenes:computational studies of magnetic resonance and magneto-optic properties. [Internet] [Doctoral dissertation]. University of Oulu; 2016. [cited 2020 Oct 20]. Available from: http://urn.fi/urn:isbn:9789526208619.

Council of Science Editors:

Vähäkangas J(. Extended and finite graphenes:computational studies of magnetic resonance and magneto-optic properties. [Doctoral Dissertation]. University of Oulu; 2016. Available from: http://urn.fi/urn:isbn:9789526208619


University of North Texas

21. 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 October 20, 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. 20 Oct 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 Oct 20]. 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

22. Amorim, Carlos de Oliveira. Experimental and modeling studies of magnetoelectric multiferroic heterostructured materials .

Degree: 2019, Universidade de Aveiro

 Multiferroic materials are a very exotic type of materials which present simultaneously two or more ferroic properties. Magnetoelectric multiferroics, in particular, are a very prominent… (more)

Subjects/Keywords: BaTiO3; Fe; Heterostructures; Thin Films; Density Functional Theory; Magnetic Materials; Magnetism; Ferromagnetism; Paramagnetism Antiferromagnetism; Ferrimagnetism; Magnetic Oxides; Ferroelectricity; Electric Polarization; Ferroic Properties; Multiferroic Materials; Magnetoelectric Coupling; Spin State; Phase Transitions; Structural Transitions; Ferroelectric Transitions; Spin State Transitions; Multiferroic Device; Low Spin State; High Spin State; Null Spin State; Density of States; Spins; Magnetic Moment; Curie Temperature

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APA (6th Edition):

Amorim, C. d. O. (2019). Experimental and modeling studies of magnetoelectric multiferroic heterostructured materials . (Thesis). Universidade de Aveiro. Retrieved from http://hdl.handle.net/10773/27751

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):

Amorim, Carlos de Oliveira. “Experimental and modeling studies of magnetoelectric multiferroic heterostructured materials .” 2019. Thesis, Universidade de Aveiro. Accessed October 20, 2020. http://hdl.handle.net/10773/27751.

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

MLA Handbook (7th Edition):

Amorim, Carlos de Oliveira. “Experimental and modeling studies of magnetoelectric multiferroic heterostructured materials .” 2019. Web. 20 Oct 2020.

Vancouver:

Amorim CdO. Experimental and modeling studies of magnetoelectric multiferroic heterostructured materials . [Internet] [Thesis]. Universidade de Aveiro; 2019. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/10773/27751.

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

Council of Science Editors:

Amorim CdO. Experimental and modeling studies of magnetoelectric multiferroic heterostructured materials . [Thesis]. Universidade de Aveiro; 2019. Available from: http://hdl.handle.net/10773/27751

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

23. Sammarco, Filipe. Magnetocondutância de fios quânticos interagentes.

Degree: Mestrado, Física Básica, 2009, University of São Paulo

A condutância de fios quânticos definidos em uma geometria de \"split gatev̈aria em platôs quantizados de 2e2/h em relação à ocupação dos seus modos transversais… (more)

Subjects/Keywords: 0.7 anomaly/analogs; Anomalia/análogos 0.7; Fios quânticos interagentes; Formalismo de Landauer-Büttiker; Interacting quantum wires; Landauer-Büttiker formalism; Spin-density functional theory; Spintrônica; Spintronics; Teoria do funcional da densidade

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APA (6th Edition):

Sammarco, F. (2009). Magnetocondutância de fios quânticos interagentes. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/76/76131/tde-15032010-094300/ ;

Chicago Manual of Style (16th Edition):

Sammarco, Filipe. “Magnetocondutância de fios quânticos interagentes.” 2009. Masters Thesis, University of São Paulo. Accessed October 20, 2020. http://www.teses.usp.br/teses/disponiveis/76/76131/tde-15032010-094300/ ;.

MLA Handbook (7th Edition):

Sammarco, Filipe. “Magnetocondutância de fios quânticos interagentes.” 2009. Web. 20 Oct 2020.

Vancouver:

Sammarco F. Magnetocondutância de fios quânticos interagentes. [Internet] [Masters thesis]. University of São Paulo; 2009. [cited 2020 Oct 20]. Available from: http://www.teses.usp.br/teses/disponiveis/76/76131/tde-15032010-094300/ ;.

Council of Science Editors:

Sammarco F. Magnetocondutância de fios quânticos interagentes. [Masters Thesis]. University of São Paulo; 2009. Available from: http://www.teses.usp.br/teses/disponiveis/76/76131/tde-15032010-094300/ ;

24. Bautista Barake , Juan Felipe. Two state reactivity of oxygen reduction reaction over platinum catalyst .

Degree: 2013, Universidad de los Andes

 Las celdas de combustible, donde se transforma la energía química del hidrógeno molecular en electricidad presentan actualmente muchos retos a fin de ser usadas masivamente.… (more)

Subjects/Keywords: Two State Reactivity Density Functional Theory Oxygen Reduction Reaction Spin State Cluster

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APA (6th Edition):

Bautista Barake , J. F. (2013). Two state reactivity of oxygen reduction reaction over platinum catalyst . (Thesis). Universidad de los Andes. Retrieved from http://documentodegrado.uniandes.edu.co/documentos/200814875_fecha_2013_07_29_hora_22_25_00_parte_1.pdf

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):

Bautista Barake , Juan Felipe. “Two state reactivity of oxygen reduction reaction over platinum catalyst .” 2013. Thesis, Universidad de los Andes. Accessed October 20, 2020. http://documentodegrado.uniandes.edu.co/documentos/200814875_fecha_2013_07_29_hora_22_25_00_parte_1.pdf.

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

MLA Handbook (7th Edition):

Bautista Barake , Juan Felipe. “Two state reactivity of oxygen reduction reaction over platinum catalyst .” 2013. Web. 20 Oct 2020.

Vancouver:

Bautista Barake JF. Two state reactivity of oxygen reduction reaction over platinum catalyst . [Internet] [Thesis]. Universidad de los Andes; 2013. [cited 2020 Oct 20]. Available from: http://documentodegrado.uniandes.edu.co/documentos/200814875_fecha_2013_07_29_hora_22_25_00_parte_1.pdf.

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

Council of Science Editors:

Bautista Barake JF. Two state reactivity of oxygen reduction reaction over platinum catalyst . [Thesis]. Universidad de los Andes; 2013. Available from: http://documentodegrado.uniandes.edu.co/documentos/200814875_fecha_2013_07_29_hora_22_25_00_parte_1.pdf

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

25. Li, W.F. Point Defects in 2D and 3D Nanomaterials: A Density Functional Theory Exploration.

Degree: 2017, University Utrecht

 In this thesis, a large number of point defects was studied in both 2D and 3D nanomaterials that are of utmost importance to nanoscience by… (more)

Subjects/Keywords: point defects; density functional theory; 2D materials; spin-orbit coupling

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APA (6th Edition):

Li, W. F. (2017). Point Defects in 2D and 3D Nanomaterials: A Density Functional Theory Exploration. (Doctoral Dissertation). University Utrecht. Retrieved from https://dspace.library.uu.nl/handle/1874/350041 ; URN:NBN:NL:UI:10-1874-350041 ; urn:isbn:978-90-393-6777-3 ; URN:NBN:NL:UI:10-1874-350041 ; https://dspace.library.uu.nl/handle/1874/350041

Chicago Manual of Style (16th Edition):

Li, W F. “Point Defects in 2D and 3D Nanomaterials: A Density Functional Theory Exploration.” 2017. Doctoral Dissertation, University Utrecht. Accessed October 20, 2020. https://dspace.library.uu.nl/handle/1874/350041 ; URN:NBN:NL:UI:10-1874-350041 ; urn:isbn:978-90-393-6777-3 ; URN:NBN:NL:UI:10-1874-350041 ; https://dspace.library.uu.nl/handle/1874/350041.

MLA Handbook (7th Edition):

Li, W F. “Point Defects in 2D and 3D Nanomaterials: A Density Functional Theory Exploration.” 2017. Web. 20 Oct 2020.

Vancouver:

Li WF. Point Defects in 2D and 3D Nanomaterials: A Density Functional Theory Exploration. [Internet] [Doctoral dissertation]. University Utrecht; 2017. [cited 2020 Oct 20]. Available from: https://dspace.library.uu.nl/handle/1874/350041 ; URN:NBN:NL:UI:10-1874-350041 ; urn:isbn:978-90-393-6777-3 ; URN:NBN:NL:UI:10-1874-350041 ; https://dspace.library.uu.nl/handle/1874/350041.

Council of Science Editors:

Li WF. Point Defects in 2D and 3D Nanomaterials: A Density Functional Theory Exploration. [Doctoral Dissertation]. University Utrecht; 2017. Available from: https://dspace.library.uu.nl/handle/1874/350041 ; URN:NBN:NL:UI:10-1874-350041 ; urn:isbn:978-90-393-6777-3 ; URN:NBN:NL:UI:10-1874-350041 ; https://dspace.library.uu.nl/handle/1874/350041


University of Georgia

26. Wang, Xiao. High level ab initio characterization of small hydrocarbons and efficient implementation of density cumulant theory.

Degree: 2017, University of Georgia

 Accurate characterization of thermochemistry and kinetic properties requires high level ab initio approaches. In this dissertation, we present both ab initio quantum chemical applications and… (more)

Subjects/Keywords: ab initio quantum chemistry; electronic structure theory; coupled cluster theory; vibrational perturbation theory; singlet-triplet gap; triplet excited state; ethylene; cyclobutylidene; intrinsic reaction path; reaction rate; focal point analysis; density cumulant functional theory; density fitting; spin adaptation; transition metal complexes

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APA (6th Edition):

Wang, X. (2017). High level ab initio characterization of small hydrocarbons and efficient implementation of density cumulant theory. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/36675

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, Xiao. “High level ab initio characterization of small hydrocarbons and efficient implementation of density cumulant theory.” 2017. Thesis, University of Georgia. Accessed October 20, 2020. http://hdl.handle.net/10724/36675.

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

MLA Handbook (7th Edition):

Wang, Xiao. “High level ab initio characterization of small hydrocarbons and efficient implementation of density cumulant theory.” 2017. Web. 20 Oct 2020.

Vancouver:

Wang X. High level ab initio characterization of small hydrocarbons and efficient implementation of density cumulant theory. [Internet] [Thesis]. University of Georgia; 2017. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/10724/36675.

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

Council of Science Editors:

Wang X. High level ab initio characterization of small hydrocarbons and efficient implementation of density cumulant theory. [Thesis]. University of Georgia; 2017. Available from: http://hdl.handle.net/10724/36675

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


NSYSU

27. Chang, Ching-Sheng. A combination of Molecular dynamics, FIRE algorithm, and Density functional theory on structural and catalytic characteristics of Titania nanoparticle.

Degree: Master, Mechanical and Electro-Mechanical Engineering, 2008, NSYSU

 In order to understand the structural and electronic properties of titanium oxide nanoparticles of different sizes, the FIRE algorithm combining the simulated annealing method is… (more)

Subjects/Keywords: Molecular Dynamics; Density functional theory; FIRE algorithm

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APA (6th Edition):

Chang, C. (2008). A combination of Molecular dynamics, FIRE algorithm, and Density functional theory on structural and catalytic characteristics of Titania nanoparticle. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0824108-215353

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):

Chang, Ching-Sheng. “A combination of Molecular dynamics, FIRE algorithm, and Density functional theory on structural and catalytic characteristics of Titania nanoparticle.” 2008. Thesis, NSYSU. Accessed October 20, 2020. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0824108-215353.

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

MLA Handbook (7th Edition):

Chang, Ching-Sheng. “A combination of Molecular dynamics, FIRE algorithm, and Density functional theory on structural and catalytic characteristics of Titania nanoparticle.” 2008. Web. 20 Oct 2020.

Vancouver:

Chang C. A combination of Molecular dynamics, FIRE algorithm, and Density functional theory on structural and catalytic characteristics of Titania nanoparticle. [Internet] [Thesis]. NSYSU; 2008. [cited 2020 Oct 20]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0824108-215353.

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

Council of Science Editors:

Chang C. A combination of Molecular dynamics, FIRE algorithm, and Density functional theory on structural and catalytic characteristics of Titania nanoparticle. [Thesis]. NSYSU; 2008. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0824108-215353

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


NSYSU

28. Lin, Wen-huan. Decoupling of graphene from SiC(0001) surface by Au intercalation : A first-principles study.

Degree: Master, Physics, 2011, NSYSU

 The atomic and electronic structures of Au-intercalated graphene buffer layer on SiC(0001) surface were investigated using first-principles calculations. The unique Dirac cone of the graphene… (more)

Subjects/Keywords: graphene; SiC; Dirac point; density functional theory

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

APA (6th Edition):

Lin, W. (2011). Decoupling of graphene from SiC(0001) surface by Au intercalation : A first-principles study. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0214111-140556

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):

Lin, Wen-huan. “Decoupling of graphene from SiC(0001) surface by Au intercalation : A first-principles study.” 2011. Thesis, NSYSU. Accessed October 20, 2020. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0214111-140556.

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

MLA Handbook (7th Edition):

Lin, Wen-huan. “Decoupling of graphene from SiC(0001) surface by Au intercalation : A first-principles study.” 2011. Web. 20 Oct 2020.

Vancouver:

Lin W. Decoupling of graphene from SiC(0001) surface by Au intercalation : A first-principles study. [Internet] [Thesis]. NSYSU; 2011. [cited 2020 Oct 20]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0214111-140556.

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

Council of Science Editors:

Lin W. Decoupling of graphene from SiC(0001) surface by Au intercalation : A first-principles study. [Thesis]. NSYSU; 2011. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0214111-140556

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

29. Lehtinen, Petri Olavi. Magnetic Nature of Intrinsic Carbon Defects.

Degree: 2005, Helsinki University of Technology

Magnetism is a phenomenon that has been known for a very long time. Iron, cobalt, and nickel are known ferromagnetic materials. It is less known,… (more)

Subjects/Keywords: density functional theory; carbon; graphite; nanotube; magnetism

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

APA (6th Edition):

Lehtinen, P. O. (2005). Magnetic Nature of Intrinsic Carbon Defects. (Thesis). Helsinki University of Technology. Retrieved from http://lib.tkk.fi/Diss/2005/isbn951227521X/

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):

Lehtinen, Petri Olavi. “Magnetic Nature of Intrinsic Carbon Defects.” 2005. Thesis, Helsinki University of Technology. Accessed October 20, 2020. http://lib.tkk.fi/Diss/2005/isbn951227521X/.

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

MLA Handbook (7th Edition):

Lehtinen, Petri Olavi. “Magnetic Nature of Intrinsic Carbon Defects.” 2005. Web. 20 Oct 2020.

Vancouver:

Lehtinen PO. Magnetic Nature of Intrinsic Carbon Defects. [Internet] [Thesis]. Helsinki University of Technology; 2005. [cited 2020 Oct 20]. Available from: http://lib.tkk.fi/Diss/2005/isbn951227521X/.

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

Council of Science Editors:

Lehtinen PO. Magnetic Nature of Intrinsic Carbon Defects. [Thesis]. Helsinki University of Technology; 2005. Available from: http://lib.tkk.fi/Diss/2005/isbn951227521X/

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

30. Witte, Jonathon Kendall. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions.

Degree: Chemistry, 2017, University of California – Berkeley

 This thesis is primarily concerned with the development and assessment of electronic structure approaches for intermolecular interactions. Various aspects of existing approaches  – most notably… (more)

Subjects/Keywords: Chemistry; Physics; density functional theory; electronic structure

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

APA (6th Edition):

Witte, J. K. (2017). Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/7mc3k8tm

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):

Witte, Jonathon Kendall. “Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions.” 2017. Thesis, University of California – Berkeley. Accessed October 20, 2020. http://www.escholarship.org/uc/item/7mc3k8tm.

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

MLA Handbook (7th Edition):

Witte, Jonathon Kendall. “Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions.” 2017. Web. 20 Oct 2020.

Vancouver:

Witte JK. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. [Internet] [Thesis]. University of California – Berkeley; 2017. [cited 2020 Oct 20]. Available from: http://www.escholarship.org/uc/item/7mc3k8tm.

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

Council of Science Editors:

Witte JK. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. [Thesis]. University of California – Berkeley; 2017. Available from: http://www.escholarship.org/uc/item/7mc3k8tm

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

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