Advanced search options

Advanced Search Options 🞨

Browse by author name (“Author name starts with…”).

Find ETDs with:

in
/  
in
/  
in
/  
in

Written in Published in Earliest date Latest date

Sorted by

Results per page:

Sorted by: relevance · author · university · dateNew search

You searched for subject:(Electronic structure). Showing records 1 – 30 of 799 total matches.

[1] [2] [3] [4] [5] … [27]

Search Limiters

Last 2 Years | English Only

Degrees

Levels

Languages

Country

▼ Search Limiters


Texas A&M University

1. Woods, Toby John. Geometric and Electronic Control of the Magnetic Properties of First-Row Transition Metal Complexes.

Degree: PhD, Chemistry, 2016, Texas A&M University

 The realization that [Mn12(CH3COO)16(H2O)4O12]•2CH3COOH•2H2O (Mn12OAc) displayed magnetic hysteresis, a phenomenon usually associated with permanent bulk magnets, was a truly remarkable discovery since Mn12OAc is a… (more)

Subjects/Keywords: magnetism; electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Woods, T. J. (2016). Geometric and Electronic Control of the Magnetic Properties of First-Row Transition Metal Complexes. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/157980

Chicago Manual of Style (16th Edition):

Woods, Toby John. “Geometric and Electronic Control of the Magnetic Properties of First-Row Transition Metal Complexes.” 2016. Doctoral Dissertation, Texas A&M University. Accessed September 20, 2020. http://hdl.handle.net/1969.1/157980.

MLA Handbook (7th Edition):

Woods, Toby John. “Geometric and Electronic Control of the Magnetic Properties of First-Row Transition Metal Complexes.” 2016. Web. 20 Sep 2020.

Vancouver:

Woods TJ. Geometric and Electronic Control of the Magnetic Properties of First-Row Transition Metal Complexes. [Internet] [Doctoral dissertation]. Texas A&M University; 2016. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/1969.1/157980.

Council of Science Editors:

Woods TJ. Geometric and Electronic Control of the Magnetic Properties of First-Row Transition Metal Complexes. [Doctoral Dissertation]. Texas A&M University; 2016. Available from: http://hdl.handle.net/1969.1/157980


Cornell University

2. Schwarz, Kathleen. Partitioning Molecular And Surface Environments: Practice And Approximations.

Degree: PhD, Chemistry and Chemical Biology, 2014, Cornell University

 The physics of complex environments, though poorly understood, plays a critical role in a wide range of systems from the biological to the technological. Despite… (more)

Subjects/Keywords: ab initio electronic structure; solvation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Schwarz, K. (2014). Partitioning Molecular And Surface Environments: Practice And Approximations. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/37083

Chicago Manual of Style (16th Edition):

Schwarz, Kathleen. “Partitioning Molecular And Surface Environments: Practice And Approximations.” 2014. Doctoral Dissertation, Cornell University. Accessed September 20, 2020. http://hdl.handle.net/1813/37083.

MLA Handbook (7th Edition):

Schwarz, Kathleen. “Partitioning Molecular And Surface Environments: Practice And Approximations.” 2014. Web. 20 Sep 2020.

Vancouver:

Schwarz K. Partitioning Molecular And Surface Environments: Practice And Approximations. [Internet] [Doctoral dissertation]. Cornell University; 2014. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/1813/37083.

Council of Science Editors:

Schwarz K. Partitioning Molecular And Surface Environments: Practice And Approximations. [Doctoral Dissertation]. Cornell University; 2014. Available from: http://hdl.handle.net/1813/37083


Drexel University

3. Scafetta, Mark Dominic. Optical Properties and electronic structure of non-d0 perovskite oxide epitaxial films and heterostructures.

Degree: 2015, Drexel University

Perovskite oxide materials provide a chemically diverse pseudo cubic ABO3 platform that possesses a large number of technologically relevant physical properties. It is possible grow… (more)

Subjects/Keywords: Materials science; Perovskite; Electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Scafetta, M. D. (2015). Optical Properties and electronic structure of non-d0 perovskite oxide epitaxial films and heterostructures. (Thesis). Drexel University. Retrieved from http://hdl.handle.net/1860/idea:6382

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):

Scafetta, Mark Dominic. “Optical Properties and electronic structure of non-d0 perovskite oxide epitaxial films and heterostructures.” 2015. Thesis, Drexel University. Accessed September 20, 2020. http://hdl.handle.net/1860/idea:6382.

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

MLA Handbook (7th Edition):

Scafetta, Mark Dominic. “Optical Properties and electronic structure of non-d0 perovskite oxide epitaxial films and heterostructures.” 2015. Web. 20 Sep 2020.

Vancouver:

Scafetta MD. Optical Properties and electronic structure of non-d0 perovskite oxide epitaxial films and heterostructures. [Internet] [Thesis]. Drexel University; 2015. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/1860/idea:6382.

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

Council of Science Editors:

Scafetta MD. Optical Properties and electronic structure of non-d0 perovskite oxide epitaxial films and heterostructures. [Thesis]. Drexel University; 2015. Available from: http://hdl.handle.net/1860/idea:6382

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


University of Rochester

4. Ding, Huanjun (1977 - ). Surface and interface studies of organic semiconductors.

Degree: PhD, 2010, University of Rochester

 In recent decades, research and development of organic based semiconductor devices have attracted intense interest. One of the most essential elements is the understanding of… (more)

Subjects/Keywords: Photoemission; Electronic structure; Morphology

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Ding, H. (. -. ). (2010). Surface and interface studies of organic semiconductors. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/11168

Chicago Manual of Style (16th Edition):

Ding, Huanjun (1977 - ). “Surface and interface studies of organic semiconductors.” 2010. Doctoral Dissertation, University of Rochester. Accessed September 20, 2020. http://hdl.handle.net/1802/11168.

MLA Handbook (7th Edition):

Ding, Huanjun (1977 - ). “Surface and interface studies of organic semiconductors.” 2010. Web. 20 Sep 2020.

Vancouver:

Ding H(-). Surface and interface studies of organic semiconductors. [Internet] [Doctoral dissertation]. University of Rochester; 2010. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/1802/11168.

Council of Science Editors:

Ding H(-). Surface and interface studies of organic semiconductors. [Doctoral Dissertation]. University of Rochester; 2010. Available from: http://hdl.handle.net/1802/11168


University of Wollongong

5. Zhao, Lanling. Investigation on the electronic structures, hardness and thermoelectric properties of superionic thermoelectric materials.

Degree: Doctor of Philosophy, 2016, University of Wollongong

  Among all the state-of-the-art high temperature thermoelectric materials, the superionic Cu2-xSe and Cu2-xS based materials, which have the phonon-liquid electroncrystal (PLEC) structure, exhibit low… (more)

Subjects/Keywords: Thermoelectric; hardness; electronic structure; superionic

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Zhao, L. (2016). Investigation on the electronic structures, hardness and thermoelectric properties of superionic thermoelectric materials. (Doctoral Dissertation). University of Wollongong. Retrieved from 0204 CONDENSED MATTER PHYSICS, 0302 INORGANIC CHEMISTRY, 0306 PHYSICAL CHEMISTRY (INCL. STRUCTURAL), 0307 THEORETICAL AND COMPUTATIONAL CHEMISTRY ; https://ro.uow.edu.au/theses/4606

Chicago Manual of Style (16th Edition):

Zhao, Lanling. “Investigation on the electronic structures, hardness and thermoelectric properties of superionic thermoelectric materials.” 2016. Doctoral Dissertation, University of Wollongong. Accessed September 20, 2020. 0204 CONDENSED MATTER PHYSICS, 0302 INORGANIC CHEMISTRY, 0306 PHYSICAL CHEMISTRY (INCL. STRUCTURAL), 0307 THEORETICAL AND COMPUTATIONAL CHEMISTRY ; https://ro.uow.edu.au/theses/4606.

MLA Handbook (7th Edition):

Zhao, Lanling. “Investigation on the electronic structures, hardness and thermoelectric properties of superionic thermoelectric materials.” 2016. Web. 20 Sep 2020.

Vancouver:

Zhao L. Investigation on the electronic structures, hardness and thermoelectric properties of superionic thermoelectric materials. [Internet] [Doctoral dissertation]. University of Wollongong; 2016. [cited 2020 Sep 20]. Available from: 0204 CONDENSED MATTER PHYSICS, 0302 INORGANIC CHEMISTRY, 0306 PHYSICAL CHEMISTRY (INCL. STRUCTURAL), 0307 THEORETICAL AND COMPUTATIONAL CHEMISTRY ; https://ro.uow.edu.au/theses/4606.

Council of Science Editors:

Zhao L. Investigation on the electronic structures, hardness and thermoelectric properties of superionic thermoelectric materials. [Doctoral Dissertation]. University of Wollongong; 2016. Available from: 0204 CONDENSED MATTER PHYSICS, 0302 INORGANIC CHEMISTRY, 0306 PHYSICAL CHEMISTRY (INCL. STRUCTURAL), 0307 THEORETICAL AND COMPUTATIONAL CHEMISTRY ; https://ro.uow.edu.au/theses/4606

6. Seth, Priyanka. Improved wave functions for quantum Monte Carlo.

Degree: PhD, 2013, University of Cambridge

 Quantum Monte Carlo (QMC) methods can yield highly accurate energies for correlated quantum systems. QMC calculations based on many-body wave functions are considerably more accurate… (more)

Subjects/Keywords: Electronic structure; Quantum Monte Carlo

Page 1 Page 2 Page 3 Page 4 Page 5 Page 6 Page 7

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Seth, P. (2013). Improved wave functions for quantum Monte Carlo. (Doctoral Dissertation). University of Cambridge. Retrieved from http://www.dspace.cam.ac.uk/handle/1810/244333https://www.repository.cam.ac.uk/bitstream/1810/244333/2/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/5/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/6/PS_thesis_electronic.pdf.jpg

Chicago Manual of Style (16th Edition):

Seth, Priyanka. “Improved wave functions for quantum Monte Carlo.” 2013. Doctoral Dissertation, University of Cambridge. Accessed September 20, 2020. http://www.dspace.cam.ac.uk/handle/1810/244333https://www.repository.cam.ac.uk/bitstream/1810/244333/2/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/5/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/6/PS_thesis_electronic.pdf.jpg.

MLA Handbook (7th Edition):

Seth, Priyanka. “Improved wave functions for quantum Monte Carlo.” 2013. Web. 20 Sep 2020.

Vancouver:

Seth P. Improved wave functions for quantum Monte Carlo. [Internet] [Doctoral dissertation]. University of Cambridge; 2013. [cited 2020 Sep 20]. Available from: http://www.dspace.cam.ac.uk/handle/1810/244333https://www.repository.cam.ac.uk/bitstream/1810/244333/2/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/5/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/6/PS_thesis_electronic.pdf.jpg.

Council of Science Editors:

Seth P. Improved wave functions for quantum Monte Carlo. [Doctoral Dissertation]. University of Cambridge; 2013. Available from: http://www.dspace.cam.ac.uk/handle/1810/244333https://www.repository.cam.ac.uk/bitstream/1810/244333/2/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/3/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/5/PS_thesis_electronic.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244333/6/PS_thesis_electronic.pdf.jpg


Université Catholique de Louvain

7. Zanti, Giuseppe. Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20).

Degree: 2012, Université Catholique de Louvain

The research presented in this thesis describes the computational DFT study of homo and bimetallic Pd(n)Au(m) clusters of low nuclearities. Many studies on such species… (more)

Subjects/Keywords: Clusters; Gold; Palladium; Electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Zanti, G. (2012). Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20). (Thesis). Université Catholique de Louvain. Retrieved from http://hdl.handle.net/2078.1/108192

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):

Zanti, Giuseppe. “Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20).” 2012. Thesis, Université Catholique de Louvain. Accessed September 20, 2020. http://hdl.handle.net/2078.1/108192.

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

MLA Handbook (7th Edition):

Zanti, Giuseppe. “Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20).” 2012. Web. 20 Sep 2020.

Vancouver:

Zanti G. Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20). [Internet] [Thesis]. Université Catholique de Louvain; 2012. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/2078.1/108192.

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

Council of Science Editors:

Zanti G. Etude théorique des clusters homo et bimétalliques Pd(n)Au(m) de faibles nucléarités (n + m < 20). [Thesis]. Université Catholique de Louvain; 2012. Available from: http://hdl.handle.net/2078.1/108192

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


Harvard University

8. Iovan, Diana A. Open-Shell First-Row Transition Metal Complexes for C-H Functionalization: From Electronic Structure to Catalysis.

Degree: PhD, 2017, Harvard University

 The modular electronic and steric properties of iron dipyrromethene complexes were explored to facilitate electronic structure investigations via intermediate isolation and catalyst design for controlled… (more)

Subjects/Keywords: electronic structure; C-H functionalization

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Iovan, D. A. (2017). Open-Shell First-Row Transition Metal Complexes for C-H Functionalization: From Electronic Structure to Catalysis. (Doctoral Dissertation). Harvard University. Retrieved from http://nrs.harvard.edu/urn-3:HUL.InstRepos:41142081

Chicago Manual of Style (16th Edition):

Iovan, Diana A. “Open-Shell First-Row Transition Metal Complexes for C-H Functionalization: From Electronic Structure to Catalysis.” 2017. Doctoral Dissertation, Harvard University. Accessed September 20, 2020. http://nrs.harvard.edu/urn-3:HUL.InstRepos:41142081.

MLA Handbook (7th Edition):

Iovan, Diana A. “Open-Shell First-Row Transition Metal Complexes for C-H Functionalization: From Electronic Structure to Catalysis.” 2017. Web. 20 Sep 2020.

Vancouver:

Iovan DA. Open-Shell First-Row Transition Metal Complexes for C-H Functionalization: From Electronic Structure to Catalysis. [Internet] [Doctoral dissertation]. Harvard University; 2017. [cited 2020 Sep 20]. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:41142081.

Council of Science Editors:

Iovan DA. Open-Shell First-Row Transition Metal Complexes for C-H Functionalization: From Electronic Structure to Catalysis. [Doctoral Dissertation]. Harvard University; 2017. Available from: http://nrs.harvard.edu/urn-3:HUL.InstRepos:41142081


University of Ontario Institute of Technology

9. Clendenning, Graham. First principles calculations of transition metal complexes for artificial photosynthesis.

Degree: 2015, University of Ontario Institute of Technology

 Nanoscale devices using transition metals have shown promise in the renewable energy context for their robustness and scalability. In artificial photosynthetic devices, light harvesting molecules… (more)

Subjects/Keywords: Artificial photosynthesis; Electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Clendenning, G. (2015). First principles calculations of transition metal complexes for artificial photosynthesis. (Thesis). University of Ontario Institute of Technology. Retrieved from http://hdl.handle.net/10155/555

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):

Clendenning, Graham. “First principles calculations of transition metal complexes for artificial photosynthesis.” 2015. Thesis, University of Ontario Institute of Technology. Accessed September 20, 2020. http://hdl.handle.net/10155/555.

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

MLA Handbook (7th Edition):

Clendenning, Graham. “First principles calculations of transition metal complexes for artificial photosynthesis.” 2015. Web. 20 Sep 2020.

Vancouver:

Clendenning G. First principles calculations of transition metal complexes for artificial photosynthesis. [Internet] [Thesis]. University of Ontario Institute of Technology; 2015. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/10155/555.

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

Council of Science Editors:

Clendenning G. First principles calculations of transition metal complexes for artificial photosynthesis. [Thesis]. University of Ontario Institute of Technology; 2015. Available from: http://hdl.handle.net/10155/555

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


McGill University

10. Wrinn, Michael Charles. Development and Application of Molecular Orbital Theories.

Degree: PhD, Department of Chemistry, 1991, McGill University

Electronic structure calculations were performed with the Multiple-Scattering Local- Density-Approximation (MS-LDA) theory on the heterocycles 2-imidazolidinenone and 2,1,3-benzoxadiazole, and the sulphur and selenium analogues. Correlation… (more)

Subjects/Keywords: Electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Wrinn, M. C. (1991). Development and Application of Molecular Orbital Theories. (Doctoral Dissertation). McGill University. Retrieved from https://escholarship.mcgill.ca/downloads/mg74qp41v.pdf ; https://escholarship.mcgill.ca/concern/theses/cj82k9524

Chicago Manual of Style (16th Edition):

Wrinn, Michael Charles. “Development and Application of Molecular Orbital Theories.” 1991. Doctoral Dissertation, McGill University. Accessed September 20, 2020. https://escholarship.mcgill.ca/downloads/mg74qp41v.pdf ; https://escholarship.mcgill.ca/concern/theses/cj82k9524.

MLA Handbook (7th Edition):

Wrinn, Michael Charles. “Development and Application of Molecular Orbital Theories.” 1991. Web. 20 Sep 2020.

Vancouver:

Wrinn MC. Development and Application of Molecular Orbital Theories. [Internet] [Doctoral dissertation]. McGill University; 1991. [cited 2020 Sep 20]. Available from: https://escholarship.mcgill.ca/downloads/mg74qp41v.pdf ; https://escholarship.mcgill.ca/concern/theses/cj82k9524.

Council of Science Editors:

Wrinn MC. Development and Application of Molecular Orbital Theories. [Doctoral Dissertation]. McGill University; 1991. Available from: https://escholarship.mcgill.ca/downloads/mg74qp41v.pdf ; https://escholarship.mcgill.ca/concern/theses/cj82k9524


Montana State University

11. Towey, Bradley David. Electronic structure determination of model complexes of [Mo-3Fe-4S] clusters and method development of in situ reductive amination using amine-boranes.

Degree: PhD, College of Letters & Science, 2014, Montana State University

 In nature, bacteria are able to convert inert nitrogen gas to ammonia using the iron molybdenum-cofactor of the nitrogenase enzyme. Even though the crystal structure(more)

Subjects/Keywords: Electronic structure.; Molybdenum compounds.; Amination.

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Towey, B. D. (2014). Electronic structure determination of model complexes of [Mo-3Fe-4S] clusters and method development of in situ reductive amination using amine-boranes. (Doctoral Dissertation). Montana State University. Retrieved from https://scholarworks.montana.edu/xmlui/handle/1/9421

Chicago Manual of Style (16th Edition):

Towey, Bradley David. “Electronic structure determination of model complexes of [Mo-3Fe-4S] clusters and method development of in situ reductive amination using amine-boranes.” 2014. Doctoral Dissertation, Montana State University. Accessed September 20, 2020. https://scholarworks.montana.edu/xmlui/handle/1/9421.

MLA Handbook (7th Edition):

Towey, Bradley David. “Electronic structure determination of model complexes of [Mo-3Fe-4S] clusters and method development of in situ reductive amination using amine-boranes.” 2014. Web. 20 Sep 2020.

Vancouver:

Towey BD. Electronic structure determination of model complexes of [Mo-3Fe-4S] clusters and method development of in situ reductive amination using amine-boranes. [Internet] [Doctoral dissertation]. Montana State University; 2014. [cited 2020 Sep 20]. Available from: https://scholarworks.montana.edu/xmlui/handle/1/9421.

Council of Science Editors:

Towey BD. Electronic structure determination of model complexes of [Mo-3Fe-4S] clusters and method development of in situ reductive amination using amine-boranes. [Doctoral Dissertation]. Montana State University; 2014. Available from: https://scholarworks.montana.edu/xmlui/handle/1/9421


Case Western Reserve University

12. Lukashev, Pavel. Crystal and Electronic Structure of Copper Sulfides.

Degree: PhD, Physics, 2007, Case Western Reserve University

  Copper sulfides with different copper concentration exist in mineral form ranging from CuS to Cu2S. Among these, chalcosite Cu2S, and digenite Cu1.8S were the… (more)

Subjects/Keywords: Physics, Condensed Matter; electronic structure; computational physics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Lukashev, P. (2007). Crystal and Electronic Structure of Copper Sulfides. (Doctoral Dissertation). Case Western Reserve University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394

Chicago Manual of Style (16th Edition):

Lukashev, Pavel. “Crystal and Electronic Structure of Copper Sulfides.” 2007. Doctoral Dissertation, Case Western Reserve University. Accessed September 20, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394.

MLA Handbook (7th Edition):

Lukashev, Pavel. “Crystal and Electronic Structure of Copper Sulfides.” 2007. Web. 20 Sep 2020.

Vancouver:

Lukashev P. Crystal and Electronic Structure of Copper Sulfides. [Internet] [Doctoral dissertation]. Case Western Reserve University; 2007. [cited 2020 Sep 20]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394.

Council of Science Editors:

Lukashev P. Crystal and Electronic Structure of Copper Sulfides. [Doctoral Dissertation]. Case Western Reserve University; 2007. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394

13. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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 September 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 Sep 2020.

Vancouver:

Witte JK. Development and Assessment of Electronic Structure Approaches for Non-Covalent Interactions. [Internet] [Thesis]. University of California – Berkeley; 2017. [cited 2020 Sep 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


University of Utah

14. Wu, Shangduan. Electronic structure and transport property of disordered graphene.

Degree: MS;, Physics;, 2010, University of Utah

 This thesis is concerned with the electronic structure and transport property of disordered graphene. In Chapter 1, we begin with an introduction to graphene. Next,… (more)

Subjects/Keywords: Disorder; Electronic structure; Graphene; Transport property

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Wu, S. (2010). Electronic structure and transport property of disordered graphene. (Masters Thesis). University of Utah. Retrieved from http://content.lib.utah.edu/cdm/singleitem/collection/etd2/id/963/rec/410

Chicago Manual of Style (16th Edition):

Wu, Shangduan. “Electronic structure and transport property of disordered graphene.” 2010. Masters Thesis, University of Utah. Accessed September 20, 2020. http://content.lib.utah.edu/cdm/singleitem/collection/etd2/id/963/rec/410.

MLA Handbook (7th Edition):

Wu, Shangduan. “Electronic structure and transport property of disordered graphene.” 2010. Web. 20 Sep 2020.

Vancouver:

Wu S. Electronic structure and transport property of disordered graphene. [Internet] [Masters thesis]. University of Utah; 2010. [cited 2020 Sep 20]. Available from: http://content.lib.utah.edu/cdm/singleitem/collection/etd2/id/963/rec/410.

Council of Science Editors:

Wu S. Electronic structure and transport property of disordered graphene. [Masters Thesis]. University of Utah; 2010. Available from: http://content.lib.utah.edu/cdm/singleitem/collection/etd2/id/963/rec/410


Cornell University

15. Neuscamman, Eric. Modeling Electron Correlation In Quantum Chemistry.

Degree: PhD, Chemistry and Chemical Biology, 2011, Cornell University

 Accurately predicting the effects of correlations caused by strong interactions between electrons represents one of the key unsolved challenges in quantum chemistry. This thesis details… (more)

Subjects/Keywords: Quantum Chemistry; Electronic Structure Theory; Strong Correlation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Neuscamman, E. (2011). Modeling Electron Correlation In Quantum Chemistry. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/30758

Chicago Manual of Style (16th Edition):

Neuscamman, Eric. “Modeling Electron Correlation In Quantum Chemistry.” 2011. Doctoral Dissertation, Cornell University. Accessed September 20, 2020. http://hdl.handle.net/1813/30758.

MLA Handbook (7th Edition):

Neuscamman, Eric. “Modeling Electron Correlation In Quantum Chemistry.” 2011. Web. 20 Sep 2020.

Vancouver:

Neuscamman E. Modeling Electron Correlation In Quantum Chemistry. [Internet] [Doctoral dissertation]. Cornell University; 2011. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/1813/30758.

Council of Science Editors:

Neuscamman E. Modeling Electron Correlation In Quantum Chemistry. [Doctoral Dissertation]. Cornell University; 2011. Available from: http://hdl.handle.net/1813/30758


Vanderbilt University

16. Brock, Casey Neil. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.

Degree: PhD, Interdisciplinary Materials Science, 2019, Vanderbilt University

 In principle, the properties of materials are determined by the behavior of electrons. Therefore quantum mechanical electronic structure calculations play a critical role in materials… (more)

Subjects/Keywords: pseudopotentials; density functional theory; electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Brock, C. N. (2019). Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/12328

Chicago Manual of Style (16th Edition):

Brock, Casey Neil. “Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.” 2019. Doctoral Dissertation, Vanderbilt University. Accessed September 20, 2020. http://hdl.handle.net/1803/12328.

MLA Handbook (7th Edition):

Brock, Casey Neil. “Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.” 2019. Web. 20 Sep 2020.

Vancouver:

Brock CN. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. [Internet] [Doctoral dissertation]. Vanderbilt University; 2019. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/1803/12328.

Council of Science Editors:

Brock CN. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. [Doctoral Dissertation]. Vanderbilt University; 2019. Available from: http://hdl.handle.net/1803/12328


Anna University

17. Kathirvel V. Correlation between structural stability and electronic structure of f Electron based intermetallic compounds under pressure;.

Degree: 2013, Anna University

In this thesis, an attempt has been made to correlate the structural stability and the electronic structure of several f-electron based intermetallic compounds (f-IMCs). The… (more)

Subjects/Keywords: Structural stability; electronic structure; f-electron

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

V, K. (2013). Correlation between structural stability and electronic structure of f Electron based intermetallic compounds under pressure;. (Thesis). Anna University. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/10660

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):

V, Kathirvel. “Correlation between structural stability and electronic structure of f Electron based intermetallic compounds under pressure;.” 2013. Thesis, Anna University. Accessed September 20, 2020. http://shodhganga.inflibnet.ac.in/handle/10603/10660.

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

MLA Handbook (7th Edition):

V, Kathirvel. “Correlation between structural stability and electronic structure of f Electron based intermetallic compounds under pressure;.” 2013. Web. 20 Sep 2020.

Vancouver:

V K. Correlation between structural stability and electronic structure of f Electron based intermetallic compounds under pressure;. [Internet] [Thesis]. Anna University; 2013. [cited 2020 Sep 20]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/10660.

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

Council of Science Editors:

V K. Correlation between structural stability and electronic structure of f Electron based intermetallic compounds under pressure;. [Thesis]. Anna University; 2013. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/10660

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


University of Hyderabad

18. Naga, Srinivas Gantasala. Electronic structure studies on some main group compounds and organometallics.

Degree: 1996, University of Hyderabad

Vitae is included Advisors/Committee Members: Jemmis, Eluvathingal D.

Subjects/Keywords: Chemistry; Electronic Structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Naga, S. G. (1996). Electronic structure studies on some main group compounds and organometallics. (Thesis). University of Hyderabad. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/1539

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):

Naga, Srinivas Gantasala. “Electronic structure studies on some main group compounds and organometallics.” 1996. Thesis, University of Hyderabad. Accessed September 20, 2020. http://shodhganga.inflibnet.ac.in/handle/10603/1539.

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

MLA Handbook (7th Edition):

Naga, Srinivas Gantasala. “Electronic structure studies on some main group compounds and organometallics.” 1996. Web. 20 Sep 2020.

Vancouver:

Naga SG. Electronic structure studies on some main group compounds and organometallics. [Internet] [Thesis]. University of Hyderabad; 1996. [cited 2020 Sep 20]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/1539.

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

Council of Science Editors:

Naga SG. Electronic structure studies on some main group compounds and organometallics. [Thesis]. University of Hyderabad; 1996. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/1539

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

19. Yarlagadda, Suresh. Electronic structure of lanthanum hydride and zirconium nitride molecules and radiative lifetime measurements in la atom; -.

Degree: Physical Science, 2015, INFLIBNET

Abstract available

References p.133 - 144 and Appendix p.145 - 158 and Publication p.159

Advisors/Committee Members: Nakhate, S G.

Subjects/Keywords: Electronic; Lanthanum; Structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Yarlagadda, S. (2015). Electronic structure of lanthanum hydride and zirconium nitride molecules and radiative lifetime measurements in la atom; -. (Thesis). INFLIBNET. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/49150

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):

Yarlagadda, Suresh. “Electronic structure of lanthanum hydride and zirconium nitride molecules and radiative lifetime measurements in la atom; -.” 2015. Thesis, INFLIBNET. Accessed September 20, 2020. http://shodhganga.inflibnet.ac.in/handle/10603/49150.

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

MLA Handbook (7th Edition):

Yarlagadda, Suresh. “Electronic structure of lanthanum hydride and zirconium nitride molecules and radiative lifetime measurements in la atom; -.” 2015. Web. 20 Sep 2020.

Vancouver:

Yarlagadda S. Electronic structure of lanthanum hydride and zirconium nitride molecules and radiative lifetime measurements in la atom; -. [Internet] [Thesis]. INFLIBNET; 2015. [cited 2020 Sep 20]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/49150.

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

Council of Science Editors:

Yarlagadda S. Electronic structure of lanthanum hydride and zirconium nitride molecules and radiative lifetime measurements in la atom; -. [Thesis]. INFLIBNET; 2015. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/49150

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


The Ohio State University

20. Richard, Ryan. Increasing the computational efficiency of ab initio methods with generalized many-body expansions.

Degree: PhD, Chemistry, 2013, The Ohio State University

 It is well known that a hierarchy of ab initio methods exist and can be used to achieve high accuracy, but at high cost. This… (more)

Subjects/Keywords: Chemistry; electronic structure, many-body expansion

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Richard, R. (2013). Increasing the computational efficiency of ab initio methods with generalized many-body expansions. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1385570237

Chicago Manual of Style (16th Edition):

Richard, Ryan. “Increasing the computational efficiency of ab initio methods with generalized many-body expansions.” 2013. Doctoral Dissertation, The Ohio State University. Accessed September 20, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=osu1385570237.

MLA Handbook (7th Edition):

Richard, Ryan. “Increasing the computational efficiency of ab initio methods with generalized many-body expansions.” 2013. Web. 20 Sep 2020.

Vancouver:

Richard R. Increasing the computational efficiency of ab initio methods with generalized many-body expansions. [Internet] [Doctoral dissertation]. The Ohio State University; 2013. [cited 2020 Sep 20]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1385570237.

Council of Science Editors:

Richard R. Increasing the computational efficiency of ab initio methods with generalized many-body expansions. [Doctoral Dissertation]. The Ohio State University; 2013. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1385570237


Virginia Tech

21. Lewis, Cannada Andrew. The Unreasonable Usefulness of Approximation by Linear Combination.

Degree: PhD, Chemistry, 2018, Virginia Tech

 Through the exploitation of data-sparsity  – a catch all term for savings gained from a variety of approximations – it is possible to reduce the computational… (more)

Subjects/Keywords: Electronic Structure; Data-Sparsity; Tensor; Reduced Scaling

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Lewis, C. A. (2018). The Unreasonable Usefulness of Approximation by Linear Combination. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/83866

Chicago Manual of Style (16th Edition):

Lewis, Cannada Andrew. “The Unreasonable Usefulness of Approximation by Linear Combination.” 2018. Doctoral Dissertation, Virginia Tech. Accessed September 20, 2020. http://hdl.handle.net/10919/83866.

MLA Handbook (7th Edition):

Lewis, Cannada Andrew. “The Unreasonable Usefulness of Approximation by Linear Combination.” 2018. Web. 20 Sep 2020.

Vancouver:

Lewis CA. The Unreasonable Usefulness of Approximation by Linear Combination. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/10919/83866.

Council of Science Editors:

Lewis CA. The Unreasonable Usefulness of Approximation by Linear Combination. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/83866


University of Illinois – Chicago

22. Hassan, Asra. Synthesis, Characterization, and Photophysical Investigations of Doped Semiconductor Nanocrystals.

Degree: 2018, University of Illinois – Chicago

 Doped semiconductor nanocrystals (NCs) are an emerging class of new materials, as incorporation of guest ions allows for refinement of their electronic, optical, and magnetic… (more)

Subjects/Keywords: Semiconductor Nanocrystals; Quantum Dots; Dopants; Electronic Structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Hassan, A. (2018). Synthesis, Characterization, and Photophysical Investigations of Doped Semiconductor Nanocrystals. (Thesis). University of Illinois – Chicago. Retrieved from http://hdl.handle.net/10027/22966

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):

Hassan, Asra. “Synthesis, Characterization, and Photophysical Investigations of Doped Semiconductor Nanocrystals.” 2018. Thesis, University of Illinois – Chicago. Accessed September 20, 2020. http://hdl.handle.net/10027/22966.

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

MLA Handbook (7th Edition):

Hassan, Asra. “Synthesis, Characterization, and Photophysical Investigations of Doped Semiconductor Nanocrystals.” 2018. Web. 20 Sep 2020.

Vancouver:

Hassan A. Synthesis, Characterization, and Photophysical Investigations of Doped Semiconductor Nanocrystals. [Internet] [Thesis]. University of Illinois – Chicago; 2018. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/10027/22966.

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

Council of Science Editors:

Hassan A. Synthesis, Characterization, and Photophysical Investigations of Doped Semiconductor Nanocrystals. [Thesis]. University of Illinois – Chicago; 2018. Available from: http://hdl.handle.net/10027/22966

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


University of Minnesota

23. Grofe, Adam. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.

Degree: PhD, Chemistry, 2018, University of Minnesota

 This dissertation is contains two separates areas of research. The first three Chapters focus on the development and several proof-of-concepts for multistate density functional theory… (more)

Subjects/Keywords: Electronic Structure; Molecular Dynamics; MSDFT; QVP; Solvatochromism

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Grofe, A. (2018). Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/199079

Chicago Manual of Style (16th Edition):

Grofe, Adam. “Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.” 2018. Doctoral Dissertation, University of Minnesota. Accessed September 20, 2020. http://hdl.handle.net/11299/199079.

MLA Handbook (7th Edition):

Grofe, Adam. “Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.” 2018. Web. 20 Sep 2020.

Vancouver:

Grofe A. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/11299/199079.

Council of Science Editors:

Grofe A. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/199079


University of Cambridge

24. Seth, Priyanka. Improved wave functions for quantum Monte Carlo.

Degree: PhD, 2013, University of Cambridge

 Quantum Monte Carlo (QMC) methods can yield highly accurate energies for correlated quantum systems. QMC calculations based on many-body wave functions are considerably more accurate… (more)

Subjects/Keywords: 530; Electronic structure; Quantum Monte Carlo

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Seth, P. (2013). Improved wave functions for quantum Monte Carlo. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/244333 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.567850

Chicago Manual of Style (16th Edition):

Seth, Priyanka. “Improved wave functions for quantum Monte Carlo.” 2013. Doctoral Dissertation, University of Cambridge. Accessed September 20, 2020. https://www.repository.cam.ac.uk/handle/1810/244333 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.567850.

MLA Handbook (7th Edition):

Seth, Priyanka. “Improved wave functions for quantum Monte Carlo.” 2013. Web. 20 Sep 2020.

Vancouver:

Seth P. Improved wave functions for quantum Monte Carlo. [Internet] [Doctoral dissertation]. University of Cambridge; 2013. [cited 2020 Sep 20]. Available from: https://www.repository.cam.ac.uk/handle/1810/244333 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.567850.

Council of Science Editors:

Seth P. Improved wave functions for quantum Monte Carlo. [Doctoral Dissertation]. University of Cambridge; 2013. Available from: https://www.repository.cam.ac.uk/handle/1810/244333 ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.567850

25. Maatouk, Amira. Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters.

Degree: Docteur es, Chimie, 2012, Université Paris-Est

 L’étude de réactions chimiques, tout comme le calcul de propriétés thermodynamiques, sont des enjeux capitaux de la chimie moderne. L’évolution des instruments et techniques expérimentales… (more)

Subjects/Keywords: Ab initio; Structure électronique; Spectroscopie; Ab initio; Electronic structure; Spectroscopy

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Maatouk, A. (2012). Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters. (Doctoral Dissertation). Université Paris-Est. Retrieved from http://www.theses.fr/2012PEST1147

Chicago Manual of Style (16th Edition):

Maatouk, Amira. “Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters.” 2012. Doctoral Dissertation, Université Paris-Est. Accessed September 20, 2020. http://www.theses.fr/2012PEST1147.

MLA Handbook (7th Edition):

Maatouk, Amira. “Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters.” 2012. Web. 20 Sep 2020.

Vancouver:

Maatouk A. Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters. [Internet] [Doctoral dissertation]. Université Paris-Est; 2012. [cited 2020 Sep 20]. Available from: http://www.theses.fr/2012PEST1147.

Council of Science Editors:

Maatouk A. Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters. [Doctoral Dissertation]. Université Paris-Est; 2012. Available from: http://www.theses.fr/2012PEST1147


Michigan State University

26. Qiu, Xiangyun. Local structure study of disordered crystalline materials with the atomic pair distribution function method.

Degree: PhD, Department of Physics and Astronomy, 2004, Michigan State University

Subjects/Keywords: Crystals – Structure; Electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Qiu, X. (2004). Local structure study of disordered crystalline materials with the atomic pair distribution function method. (Doctoral Dissertation). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:32612

Chicago Manual of Style (16th Edition):

Qiu, Xiangyun. “Local structure study of disordered crystalline materials with the atomic pair distribution function method.” 2004. Doctoral Dissertation, Michigan State University. Accessed September 20, 2020. http://etd.lib.msu.edu/islandora/object/etd:32612.

MLA Handbook (7th Edition):

Qiu, Xiangyun. “Local structure study of disordered crystalline materials with the atomic pair distribution function method.” 2004. Web. 20 Sep 2020.

Vancouver:

Qiu X. Local structure study of disordered crystalline materials with the atomic pair distribution function method. [Internet] [Doctoral dissertation]. Michigan State University; 2004. [cited 2020 Sep 20]. Available from: http://etd.lib.msu.edu/islandora/object/etd:32612.

Council of Science Editors:

Qiu X. Local structure study of disordered crystalline materials with the atomic pair distribution function method. [Doctoral Dissertation]. Michigan State University; 2004. Available from: http://etd.lib.msu.edu/islandora/object/etd:32612

27. Wang, Lianke. Réduction catalytique du dioxygène et des protons par des complexes dinucléaires de Fe(II) : Catalytic reduction of dioxygen and protons by dinuclear Fe (II) complexes.

Degree: Docteur es, Chimie inorganique et bio inorganique, 2018, Université Grenoble Alpes (ComUE)

Cette thèse a présenté la conception et la synthèse de plusieurs complexes de fer bioinspiré portant des groupes thiolate. Leurs propriétés structurelles, électroniques, magnétiques et… (more)

Subjects/Keywords: Chimie bioinorganique; Structure électronique; Catalyse; Bioinorganic chemistry; Electronic structure; Catalysis; 540

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Wang, L. (2018). Réduction catalytique du dioxygène et des protons par des complexes dinucléaires de Fe(II) : Catalytic reduction of dioxygen and protons by dinuclear Fe (II) complexes. (Doctoral Dissertation). Université Grenoble Alpes (ComUE). Retrieved from http://www.theses.fr/2018GREAV020

Chicago Manual of Style (16th Edition):

Wang, Lianke. “Réduction catalytique du dioxygène et des protons par des complexes dinucléaires de Fe(II) : Catalytic reduction of dioxygen and protons by dinuclear Fe (II) complexes.” 2018. Doctoral Dissertation, Université Grenoble Alpes (ComUE). Accessed September 20, 2020. http://www.theses.fr/2018GREAV020.

MLA Handbook (7th Edition):

Wang, Lianke. “Réduction catalytique du dioxygène et des protons par des complexes dinucléaires de Fe(II) : Catalytic reduction of dioxygen and protons by dinuclear Fe (II) complexes.” 2018. Web. 20 Sep 2020.

Vancouver:

Wang L. Réduction catalytique du dioxygène et des protons par des complexes dinucléaires de Fe(II) : Catalytic reduction of dioxygen and protons by dinuclear Fe (II) complexes. [Internet] [Doctoral dissertation]. Université Grenoble Alpes (ComUE); 2018. [cited 2020 Sep 20]. Available from: http://www.theses.fr/2018GREAV020.

Council of Science Editors:

Wang L. Réduction catalytique du dioxygène et des protons par des complexes dinucléaires de Fe(II) : Catalytic reduction of dioxygen and protons by dinuclear Fe (II) complexes. [Doctoral Dissertation]. Université Grenoble Alpes (ComUE); 2018. Available from: http://www.theses.fr/2018GREAV020


Duquesne University

28. Brunetta, Carl David. Structure Determination by X-Ray Diffraction Methods and Physicochemical Characterization of Quaternary Diamond-Like Semiconductors.

Degree: PhD, Chemistry and Biochemistry, 2013, Duquesne University

 Diamond-like semiconductors (DLSs) are a class of semiconductor materials having structures similar to that of either cubic or hexagonal diamond. These normal valence compounds are… (more)

Subjects/Keywords: Chalcogenide; Crystal structure; Diamond-Like; Electronic structure; Prediction; Semiconductor

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Brunetta, C. D. (2013). Structure Determination by X-Ray Diffraction Methods and Physicochemical Characterization of Quaternary Diamond-Like Semiconductors. (Doctoral Dissertation). Duquesne University. Retrieved from https://dsc.duq.edu/etd/359

Chicago Manual of Style (16th Edition):

Brunetta, Carl David. “Structure Determination by X-Ray Diffraction Methods and Physicochemical Characterization of Quaternary Diamond-Like Semiconductors.” 2013. Doctoral Dissertation, Duquesne University. Accessed September 20, 2020. https://dsc.duq.edu/etd/359.

MLA Handbook (7th Edition):

Brunetta, Carl David. “Structure Determination by X-Ray Diffraction Methods and Physicochemical Characterization of Quaternary Diamond-Like Semiconductors.” 2013. Web. 20 Sep 2020.

Vancouver:

Brunetta CD. Structure Determination by X-Ray Diffraction Methods and Physicochemical Characterization of Quaternary Diamond-Like Semiconductors. [Internet] [Doctoral dissertation]. Duquesne University; 2013. [cited 2020 Sep 20]. Available from: https://dsc.duq.edu/etd/359.

Council of Science Editors:

Brunetta CD. Structure Determination by X-Ray Diffraction Methods and Physicochemical Characterization of Quaternary Diamond-Like Semiconductors. [Doctoral Dissertation]. Duquesne University; 2013. Available from: https://dsc.duq.edu/etd/359


University of Cincinnati

29. Shingade, Vikas M. Investigations of the Electronic and Molecular Structures of Luminescent Pt(II) and Pt(IV) Complexes with Triimine Ligands.

Degree: PhD, Arts and Sciences: Chemistry, 2016, University of Cincinnati

 The work presented in this dissertation focuses on platinum(II) and platinum(IV) complexes with the 2,6-bis(N-methylbenzimidazol-2'-yl)pyridine (mbzimpy) pincer ligand. The complexes have the general formulae Pt(mbzimpy)X+(more)

Subjects/Keywords: Inorganic Chemistry; Platinum; terpyridine; benzimidazole; luminescence; electronic structure; electronic absorption

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Shingade, V. M. (2016). Investigations of the Electronic and Molecular Structures of Luminescent Pt(II) and Pt(IV) Complexes with Triimine Ligands. (Doctoral Dissertation). University of Cincinnati. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=ucin1460447231

Chicago Manual of Style (16th Edition):

Shingade, Vikas M. “Investigations of the Electronic and Molecular Structures of Luminescent Pt(II) and Pt(IV) Complexes with Triimine Ligands.” 2016. Doctoral Dissertation, University of Cincinnati. Accessed September 20, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1460447231.

MLA Handbook (7th Edition):

Shingade, Vikas M. “Investigations of the Electronic and Molecular Structures of Luminescent Pt(II) and Pt(IV) Complexes with Triimine Ligands.” 2016. Web. 20 Sep 2020.

Vancouver:

Shingade VM. Investigations of the Electronic and Molecular Structures of Luminescent Pt(II) and Pt(IV) Complexes with Triimine Ligands. [Internet] [Doctoral dissertation]. University of Cincinnati; 2016. [cited 2020 Sep 20]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1460447231.

Council of Science Editors:

Shingade VM. Investigations of the Electronic and Molecular Structures of Luminescent Pt(II) and Pt(IV) Complexes with Triimine Ligands. [Doctoral Dissertation]. University of Cincinnati; 2016. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1460447231


University of Texas – Austin

30. Garrett, Benjamin Fonville. Computational methods for understanding the role of electric fields in quantum confined materials.

Degree: PhD, Physics, 2017, University of Texas – Austin

 The invention of pseudopotential-density functional theory to solve for the electronic structure of materials is one of the major successes of modern computational physics. A… (more)

Subjects/Keywords: DFT; Electronic structure; Confined quantum system; Electronic fields

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Garrett, B. F. (2017). Computational methods for understanding the role of electric fields in quantum confined materials. (Doctoral Dissertation). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/63726

Chicago Manual of Style (16th Edition):

Garrett, Benjamin Fonville. “Computational methods for understanding the role of electric fields in quantum confined materials.” 2017. Doctoral Dissertation, University of Texas – Austin. Accessed September 20, 2020. http://hdl.handle.net/2152/63726.

MLA Handbook (7th Edition):

Garrett, Benjamin Fonville. “Computational methods for understanding the role of electric fields in quantum confined materials.” 2017. Web. 20 Sep 2020.

Vancouver:

Garrett BF. Computational methods for understanding the role of electric fields in quantum confined materials. [Internet] [Doctoral dissertation]. University of Texas – Austin; 2017. [cited 2020 Sep 20]. Available from: http://hdl.handle.net/2152/63726.

Council of Science Editors:

Garrett BF. Computational methods for understanding the role of electric fields in quantum confined materials. [Doctoral Dissertation]. University of Texas – Austin; 2017. Available from: http://hdl.handle.net/2152/63726

[1] [2] [3] [4] [5] … [27]

.