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You searched for subject:(Electronic structure theory). Showing records 31 – 60 of 154 total matches.

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University of Minnesota

31. Ghosh, Soumen. Static and Dynamic Charge and Energy Transport in Organic Electronics.

Degree: PhD, Chemistry, 2018, University of Minnesota

 Organic electronic materials are a new generation of materials that have the potential to move our society to clean and renewable energy sources, but the… (more)

Subjects/Keywords: Charge transport; Density functional theory; Electronic structure methods; Energy transport; Organic elctronics; Real-time dynamics

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APA (6th Edition):

Ghosh, S. (2018). Static and Dynamic Charge and Energy Transport in Organic Electronics. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/200186

Chicago Manual of Style (16th Edition):

Ghosh, Soumen. “Static and Dynamic Charge and Energy Transport in Organic Electronics.” 2018. Doctoral Dissertation, University of Minnesota. Accessed October 16, 2019. http://hdl.handle.net/11299/200186.

MLA Handbook (7th Edition):

Ghosh, Soumen. “Static and Dynamic Charge and Energy Transport in Organic Electronics.” 2018. Web. 16 Oct 2019.

Vancouver:

Ghosh S. Static and Dynamic Charge and Energy Transport in Organic Electronics. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/11299/200186.

Council of Science Editors:

Ghosh S. Static and Dynamic Charge and Energy Transport in Organic Electronics. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/200186


Duquesne University

32. Ziegler, Michael. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.

Degree: PhD, Chemistry and Biochemistry, 2011, Duquesne University

 This Ph.D. dissertation is focused on the investigation the structure of nitrile anion containing molecules and how the structure and reactivity of those molecules are… (more)

Subjects/Keywords: Ab initio calculation; Acetonitrile anion; Density functional theory; Electronic structure calculation; Nitrile anion; Solvation

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APA (6th Edition):

Ziegler, M. (2011). Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. (Doctoral Dissertation). Duquesne University. Retrieved from https://dsc.duq.edu/etd/1414

Chicago Manual of Style (16th Edition):

Ziegler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Doctoral Dissertation, Duquesne University. Accessed October 16, 2019. https://dsc.duq.edu/etd/1414.

MLA Handbook (7th Edition):

Ziegler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Web. 16 Oct 2019.

Vancouver:

Ziegler M. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. [Internet] [Doctoral dissertation]. Duquesne University; 2011. [cited 2019 Oct 16]. Available from: https://dsc.duq.edu/etd/1414.

Council of Science Editors:

Ziegler M. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. [Doctoral Dissertation]. Duquesne University; 2011. Available from: https://dsc.duq.edu/etd/1414


Cornell University

33. Holmes, Adam. Advances in deterministic, stochastic, and semistochastic quantum chemistry .

Degree: 2017, Cornell University

 In this dissertation, I present my original research in the development of algorithms for computing ground-state properties of strongly-correlated electronic systems from first principles. I… (more)

Subjects/Keywords: Computer science; electronic structure theory; quantum Monte Carlo; strongly-correlated electrons; Quantum physics; Molecular chemistry

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APA (6th Edition):

Holmes, A. (2017). Advances in deterministic, stochastic, and semistochastic quantum chemistry . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/47777

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):

Holmes, Adam. “Advances in deterministic, stochastic, and semistochastic quantum chemistry .” 2017. Thesis, Cornell University. Accessed October 16, 2019. http://hdl.handle.net/1813/47777.

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

MLA Handbook (7th Edition):

Holmes, Adam. “Advances in deterministic, stochastic, and semistochastic quantum chemistry .” 2017. Web. 16 Oct 2019.

Vancouver:

Holmes A. Advances in deterministic, stochastic, and semistochastic quantum chemistry . [Internet] [Thesis]. Cornell University; 2017. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/1813/47777.

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

Council of Science Editors:

Holmes A. Advances in deterministic, stochastic, and semistochastic quantum chemistry . [Thesis]. Cornell University; 2017. Available from: http://hdl.handle.net/1813/47777

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

34. Decolvenaere, Elizabeth Rio. Improving Ab-Initio Simulations of Ordering Phenomena in Transition Metal Alloys.

Degree: 2017, University of California – eScholarship, University of California

 Density functional theory (DFT) is undergoing a shift from a descriptive to a predictive tool in the field of solid state physics, with undertakings like… (more)

Subjects/Keywords: Materials Science; Chemical engineering; Density Functional Theory; Electronic Structure; Magnetism; Maximum Entropy; Thermodynamics; Transition Metals

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APA (6th Edition):

Decolvenaere, E. R. (2017). Improving Ab-Initio Simulations of Ordering Phenomena in Transition Metal Alloys. (Thesis). University of California – eScholarship, University of California. Retrieved from http://www.escholarship.org/uc/item/0fw0w672

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):

Decolvenaere, Elizabeth Rio. “Improving Ab-Initio Simulations of Ordering Phenomena in Transition Metal Alloys.” 2017. Thesis, University of California – eScholarship, University of California. Accessed October 16, 2019. http://www.escholarship.org/uc/item/0fw0w672.

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

MLA Handbook (7th Edition):

Decolvenaere, Elizabeth Rio. “Improving Ab-Initio Simulations of Ordering Phenomena in Transition Metal Alloys.” 2017. Web. 16 Oct 2019.

Vancouver:

Decolvenaere ER. Improving Ab-Initio Simulations of Ordering Phenomena in Transition Metal Alloys. [Internet] [Thesis]. University of California – eScholarship, University of California; 2017. [cited 2019 Oct 16]. Available from: http://www.escholarship.org/uc/item/0fw0w672.

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

Council of Science Editors:

Decolvenaere ER. Improving Ab-Initio Simulations of Ordering Phenomena in Transition Metal Alloys. [Thesis]. University of California – eScholarship, University of California; 2017. Available from: http://www.escholarship.org/uc/item/0fw0w672

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


University of Texas – Austin

35. Lena, Charles Manuel. Scalable electronic structure methods to solve the Kohn-Sham equation.

Degree: PhD, Chemical Engineering, 2018, University of Texas – Austin

 From the single hydrogen to proteins in the hundreds of thousands of kilodaltons, scientists can use the electronic structure of interacting atoms to predict their… (more)

Subjects/Keywords: Kohn-Sham equations; Density functional theory; High performance computing; Massively parallel computing; Electronic structure problem

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APA (6th Edition):

Lena, C. M. (2018). Scalable electronic structure methods to solve the Kohn-Sham equation. (Doctoral Dissertation). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/63299

Chicago Manual of Style (16th Edition):

Lena, Charles Manuel. “Scalable electronic structure methods to solve the Kohn-Sham equation.” 2018. Doctoral Dissertation, University of Texas – Austin. Accessed October 16, 2019. http://hdl.handle.net/2152/63299.

MLA Handbook (7th Edition):

Lena, Charles Manuel. “Scalable electronic structure methods to solve the Kohn-Sham equation.” 2018. Web. 16 Oct 2019.

Vancouver:

Lena CM. Scalable electronic structure methods to solve the Kohn-Sham equation. [Internet] [Doctoral dissertation]. University of Texas – Austin; 2018. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2152/63299.

Council of Science Editors:

Lena CM. Scalable electronic structure methods to solve the Kohn-Sham equation. [Doctoral Dissertation]. University of Texas – Austin; 2018. Available from: http://hdl.handle.net/2152/63299


Michigan State University

36. Sun, Cheng. Electronic structure and dynamics in colloidal graphene quantum dots.

Degree: 2016, Michigan State University

Thesis Ph. D. Michigan State University. Physics 2016.

I present studies of excitons in graphene quantum dots (GQDs), a class of electronicallyquasi-zero-dimensional materials with a… (more)

Subjects/Keywords: Semiconductor nanocrystals; Quantum dots; Graphene; Exciton theory; Electronic structure; Molecular dynamics; Physics

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APA (6th Edition):

Sun, C. (2016). Electronic structure and dynamics in colloidal graphene quantum dots. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:3975

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):

Sun, Cheng. “Electronic structure and dynamics in colloidal graphene quantum dots.” 2016. Thesis, Michigan State University. Accessed October 16, 2019. http://etd.lib.msu.edu/islandora/object/etd:3975.

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

MLA Handbook (7th Edition):

Sun, Cheng. “Electronic structure and dynamics in colloidal graphene quantum dots.” 2016. Web. 16 Oct 2019.

Vancouver:

Sun C. Electronic structure and dynamics in colloidal graphene quantum dots. [Internet] [Thesis]. Michigan State University; 2016. [cited 2019 Oct 16]. Available from: http://etd.lib.msu.edu/islandora/object/etd:3975.

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

Council of Science Editors:

Sun C. Electronic structure and dynamics in colloidal graphene quantum dots. [Thesis]. Michigan State University; 2016. Available from: http://etd.lib.msu.edu/islandora/object/etd:3975

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


Texas State University – San Marcos

37. -4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.

Degree: MS, Physics, 2018, Texas State University – San Marcos

 The need for well understood, commercially available p-type transparent conducting oxides for incorporation into basic transparent semiconducting devices alongside their already well understood and available… (more)

Subjects/Keywords: Physics; Density Functional Theory; Crystal Structure; Electronic Structure; Hole Effective Masses; Optical Properties; Defects; Dopants; Transparent Conducting Oxides

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

APA (6th Edition):

-4147-7537. (2018). First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. (Masters Thesis). Texas State University – San Marcos. Retrieved from https://digital.library.txstate.edu/handle/10877/7756

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Chicago Manual of Style (16th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Masters Thesis, Texas State University – San Marcos. Accessed October 16, 2019. https://digital.library.txstate.edu/handle/10877/7756.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

MLA Handbook (7th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Web. 16 Oct 2019.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Vancouver:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Internet] [Masters thesis]. Texas State University – San Marcos; 2018. [cited 2019 Oct 16]. Available from: https://digital.library.txstate.edu/handle/10877/7756.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Council of Science Editors:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Masters Thesis]. Texas State University – San Marcos; 2018. Available from: https://digital.library.txstate.edu/handle/10877/7756

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete


Texas State University – San Marcos

38. -4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.

Degree: MS, Physics, 2018, Texas State University – San Marcos

 The need for well understood, commercially available p-type transparent conducting oxides for incorporation into basic transparent semiconducting devices alongside their already well understood and available… (more)

Subjects/Keywords: Physics; Density Functional Theory; Crystal Structure; Electronic Structure; Hole Effective Masses; Optical Properties; Defects; Dopants; Transparent Conducting Oxides

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

-4147-7537. (2018). First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. (Masters Thesis). Texas State University – San Marcos. Retrieved from https://digital.library.txstate.edu/handle/10877/7757

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Chicago Manual of Style (16th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Masters Thesis, Texas State University – San Marcos. Accessed October 16, 2019. https://digital.library.txstate.edu/handle/10877/7757.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

MLA Handbook (7th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Web. 16 Oct 2019.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Vancouver:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Internet] [Masters thesis]. Texas State University – San Marcos; 2018. [cited 2019 Oct 16]. Available from: https://digital.library.txstate.edu/handle/10877/7757.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Council of Science Editors:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Masters Thesis]. Texas State University – San Marcos; 2018. Available from: https://digital.library.txstate.edu/handle/10877/7757

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete


Duquesne University

39. Zeigler, Michael. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.

Degree: PhD, Chemistry and Biochemistry, 2011, Duquesne University

 This Ph.D. dissertation is focused on the investigation the structure of nitrile anion containing molecules and how the structure and reactivity of those molecules are… (more)

Subjects/Keywords: Nitrile Anion; Solvation; Electronic structure calculation; Density functional theory; Ab initio calculation; Acetonitrile anion; Transition structure

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

APA (6th Edition):

Zeigler, M. (2011). Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. (Doctoral Dissertation). Duquesne University. Retrieved from https://dsc.duq.edu/etd/1404

Chicago Manual of Style (16th Edition):

Zeigler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Doctoral Dissertation, Duquesne University. Accessed October 16, 2019. https://dsc.duq.edu/etd/1404.

MLA Handbook (7th Edition):

Zeigler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Web. 16 Oct 2019.

Vancouver:

Zeigler M. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. [Internet] [Doctoral dissertation]. Duquesne University; 2011. [cited 2019 Oct 16]. Available from: https://dsc.duq.edu/etd/1404.

Council of Science Editors:

Zeigler M. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. [Doctoral Dissertation]. Duquesne University; 2011. Available from: https://dsc.duq.edu/etd/1404

40. Levin, Alan R. Reformulation of the Muffin-Tin Problem in Electronic Structure Calculations within the Feast Framework.

Degree: MS, Electrical & Computer Engineering, 2012, University of Massachusetts

  This thesis describes an accurate and scalable computational method designed to perform nanoelectronic structure calculations. Built around the FEAST framework, this method directly addresses… (more)

Subjects/Keywords: Electronic Structure; FEAST; Muffin-tin; Density Functional Theory; Electrical and Electronics; Electronic Devices and Semiconductor Manufacturing; Numerical Analysis and Computation

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APA (6th Edition):

Levin, A. R. (2012). Reformulation of the Muffin-Tin Problem in Electronic Structure Calculations within the Feast Framework. (Masters Thesis). University of Massachusetts. Retrieved from https://scholarworks.umass.edu/theses/923

Chicago Manual of Style (16th Edition):

Levin, Alan R. “Reformulation of the Muffin-Tin Problem in Electronic Structure Calculations within the Feast Framework.” 2012. Masters Thesis, University of Massachusetts. Accessed October 16, 2019. https://scholarworks.umass.edu/theses/923.

MLA Handbook (7th Edition):

Levin, Alan R. “Reformulation of the Muffin-Tin Problem in Electronic Structure Calculations within the Feast Framework.” 2012. Web. 16 Oct 2019.

Vancouver:

Levin AR. Reformulation of the Muffin-Tin Problem in Electronic Structure Calculations within the Feast Framework. [Internet] [Masters thesis]. University of Massachusetts; 2012. [cited 2019 Oct 16]. Available from: https://scholarworks.umass.edu/theses/923.

Council of Science Editors:

Levin AR. Reformulation of the Muffin-Tin Problem in Electronic Structure Calculations within the Feast Framework. [Masters Thesis]. University of Massachusetts; 2012. Available from: https://scholarworks.umass.edu/theses/923


The Ohio State University

41. Jacobson, Leif David. Approximating Many-Body Induction to Efficiently Describe Molecular Liquids and Clusters With Improved Accuracy.

Degree: PhD, Chemistry, 2011, The Ohio State University

  Construction of accurate potential energy (PE) surfaces for molecular systems is one of the primary tasks performed by theoretical physical chemists. Once in hand,… (more)

Subjects/Keywords: Chemistry; Physical Chemistry; Physics; Induction; SAPT; perturbation theory; chemistry; quantum chemistry; hydrated electron; force field; ab initio; electronic structure theory

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APA (6th Edition):

Jacobson, L. D. (2011). Approximating Many-Body Induction to Efficiently Describe Molecular Liquids and Clusters With Improved Accuracy. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1312480919

Chicago Manual of Style (16th Edition):

Jacobson, Leif David. “Approximating Many-Body Induction to Efficiently Describe Molecular Liquids and Clusters With Improved Accuracy.” 2011. Doctoral Dissertation, The Ohio State University. Accessed October 16, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1312480919.

MLA Handbook (7th Edition):

Jacobson, Leif David. “Approximating Many-Body Induction to Efficiently Describe Molecular Liquids and Clusters With Improved Accuracy.” 2011. Web. 16 Oct 2019.

Vancouver:

Jacobson LD. Approximating Many-Body Induction to Efficiently Describe Molecular Liquids and Clusters With Improved Accuracy. [Internet] [Doctoral dissertation]. The Ohio State University; 2011. [cited 2019 Oct 16]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1312480919.

Council of Science Editors:

Jacobson LD. Approximating Many-Body Induction to Efficiently Describe Molecular Liquids and Clusters With Improved Accuracy. [Doctoral Dissertation]. The Ohio State University; 2011. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1312480919


University of California – Berkeley

42. Mardirossian, Narbe. Designing and Assessing Density Functionals.

Degree: Chemistry, 2016, University of California – Berkeley

 This thesis is concerned with the development of minimally-parameterized and highly-transferable density functionals. A methodology for searching a given functional space is developed and used… (more)

Subjects/Keywords: Chemistry; Physical chemistry; computational chemistry; density functional theory; DFT; electronic structure theory; least-squares optimization; quantum chemistry

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APA (6th Edition):

Mardirossian, N. (2016). Designing and Assessing Density Functionals. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/95q8990c

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):

Mardirossian, Narbe. “Designing and Assessing Density Functionals.” 2016. Thesis, University of California – Berkeley. Accessed October 16, 2019. http://www.escholarship.org/uc/item/95q8990c.

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

MLA Handbook (7th Edition):

Mardirossian, Narbe. “Designing and Assessing Density Functionals.” 2016. Web. 16 Oct 2019.

Vancouver:

Mardirossian N. Designing and Assessing Density Functionals. [Internet] [Thesis]. University of California – Berkeley; 2016. [cited 2019 Oct 16]. Available from: http://www.escholarship.org/uc/item/95q8990c.

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

Council of Science Editors:

Mardirossian N. Designing and Assessing Density Functionals. [Thesis]. University of California – Berkeley; 2016. Available from: http://www.escholarship.org/uc/item/95q8990c

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


Freie Universität Berlin

43. Ihrig, Arvid Conrad. Eine effizient parallelisierte in-memory MP2 Implementierung mit Laplace- Transformation für molekulare und periodische Systeme.

Degree: 2017, Freie Universität Berlin

 “First principles” Methoden wie Dichte-Funktional Theorie (DFT) sind ein wichtiges Werkzeug um die elektronische Struktur von Systemen und die ihr zugrunde liegenden quanten-mechanischen Effekte zu… (more)

Subjects/Keywords: Electronic Structure Theory; Density Functional Theory; Hartree-Fock; MP2; RPA; Resolution of Identity; 500 Naturwissenschaften und Mathematik::530 Physik::530 Physik

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APA (6th Edition):

Ihrig, A. C. (2017). Eine effizient parallelisierte in-memory MP2 Implementierung mit Laplace- Transformation für molekulare und periodische Systeme. (Thesis). Freie Universität Berlin. Retrieved from https://refubium.fu-berlin.de/handle/fub188/11805

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):

Ihrig, Arvid Conrad. “Eine effizient parallelisierte in-memory MP2 Implementierung mit Laplace- Transformation für molekulare und periodische Systeme.” 2017. Thesis, Freie Universität Berlin. Accessed October 16, 2019. https://refubium.fu-berlin.de/handle/fub188/11805.

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

MLA Handbook (7th Edition):

Ihrig, Arvid Conrad. “Eine effizient parallelisierte in-memory MP2 Implementierung mit Laplace- Transformation für molekulare und periodische Systeme.” 2017. Web. 16 Oct 2019.

Vancouver:

Ihrig AC. Eine effizient parallelisierte in-memory MP2 Implementierung mit Laplace- Transformation für molekulare und periodische Systeme. [Internet] [Thesis]. Freie Universität Berlin; 2017. [cited 2019 Oct 16]. Available from: https://refubium.fu-berlin.de/handle/fub188/11805.

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

Council of Science Editors:

Ihrig AC. Eine effizient parallelisierte in-memory MP2 Implementierung mit Laplace- Transformation für molekulare und periodische Systeme. [Thesis]. Freie Universität Berlin; 2017. Available from: https://refubium.fu-berlin.de/handle/fub188/11805

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


Freie Universität Berlin

44. Caruso, Fabio. Vereinheitlichte Beschreibung von Grund- und angeregten Zuständen mit der selbst- konsistenten GW-Methode.

Degree: 2013, Freie Universität Berlin

 Im Vergleich zu einer rein experimentellen Vorgehensweise bieten ab initio Methoden die Möglichkeit Ergebnisse auf fundamental anderem Weg zu erlangen. Eine vielversprechende Wahl für die… (more)

Subjects/Keywords: electronic structure theory; electronic excitations; GW approximation; many-body perturbation theory; 500 Naturwissenschaften und Mathematik::530 Physik::539 Moderne Physik; 500 Naturwissenschaften und Mathematik::540 Chemie::541 Physikalische Chemie

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APA (6th Edition):

Caruso, F. (2013). Vereinheitlichte Beschreibung von Grund- und angeregten Zuständen mit der selbst- konsistenten GW-Methode. (Thesis). Freie Universität Berlin. Retrieved from https://refubium.fu-berlin.de/handle/fub188/11599

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):

Caruso, Fabio. “Vereinheitlichte Beschreibung von Grund- und angeregten Zuständen mit der selbst- konsistenten GW-Methode.” 2013. Thesis, Freie Universität Berlin. Accessed October 16, 2019. https://refubium.fu-berlin.de/handle/fub188/11599.

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

MLA Handbook (7th Edition):

Caruso, Fabio. “Vereinheitlichte Beschreibung von Grund- und angeregten Zuständen mit der selbst- konsistenten GW-Methode.” 2013. Web. 16 Oct 2019.

Vancouver:

Caruso F. Vereinheitlichte Beschreibung von Grund- und angeregten Zuständen mit der selbst- konsistenten GW-Methode. [Internet] [Thesis]. Freie Universität Berlin; 2013. [cited 2019 Oct 16]. Available from: https://refubium.fu-berlin.de/handle/fub188/11599.

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

Council of Science Editors:

Caruso F. Vereinheitlichte Beschreibung von Grund- und angeregten Zuständen mit der selbst- konsistenten GW-Methode. [Thesis]. Freie Universität Berlin; 2013. Available from: https://refubium.fu-berlin.de/handle/fub188/11599

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

45. Lento, Juha Markus. First-Principles Calculations of Native Defects in Tetrahedrally-Coordinated Isovalent Semiconductors.

Degree: 2003, Helsinki University of Technology

This thesis describes the development, the application and the analysis of the accuracy of state-of-the-art ab initio calculations in the description of intrinsic point defects… (more)

Subjects/Keywords: electronic structure; density-functional theory; semiconductors; point defects

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APA (6th Edition):

Lento, J. M. (2003). First-Principles Calculations of Native Defects in Tetrahedrally-Coordinated Isovalent Semiconductors. (Thesis). Helsinki University of Technology. Retrieved from http://lib.tkk.fi/Diss/2003/isbn9512267705/

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):

Lento, Juha Markus. “First-Principles Calculations of Native Defects in Tetrahedrally-Coordinated Isovalent Semiconductors.” 2003. Thesis, Helsinki University of Technology. Accessed October 16, 2019. http://lib.tkk.fi/Diss/2003/isbn9512267705/.

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

MLA Handbook (7th Edition):

Lento, Juha Markus. “First-Principles Calculations of Native Defects in Tetrahedrally-Coordinated Isovalent Semiconductors.” 2003. Web. 16 Oct 2019.

Vancouver:

Lento JM. First-Principles Calculations of Native Defects in Tetrahedrally-Coordinated Isovalent Semiconductors. [Internet] [Thesis]. Helsinki University of Technology; 2003. [cited 2019 Oct 16]. Available from: http://lib.tkk.fi/Diss/2003/isbn9512267705/.

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

Council of Science Editors:

Lento JM. First-Principles Calculations of Native Defects in Tetrahedrally-Coordinated Isovalent Semiconductors. [Thesis]. Helsinki University of Technology; 2003. Available from: http://lib.tkk.fi/Diss/2003/isbn9512267705/

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

46. Pontes, Renato Borges. Investigação em eletrônica molecular: um estudo via cálculos de primeiros princípios.

Degree: PhD, Física, 2007, University of São Paulo

O iminente fim da ëra do Silícioẗem motivado a busca de novas tecnologias para utilização na indústria eletrônica. Dentre estas tecnologias, a eletrônica molecular explora… (more)

Subjects/Keywords: computational simulation; density functional theory; electronic structure; estrutura eletrônica; quantum transport; simulação computacional; teoria do funcional da densidade; transporte quântico

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APA (6th Edition):

Pontes, R. B. (2007). Investigação em eletrônica molecular: um estudo via cálculos de primeiros princípios. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/43/43134/tde-05052009-185629/ ;

Chicago Manual of Style (16th Edition):

Pontes, Renato Borges. “Investigação em eletrônica molecular: um estudo via cálculos de primeiros princípios.” 2007. Doctoral Dissertation, University of São Paulo. Accessed October 16, 2019. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-05052009-185629/ ;.

MLA Handbook (7th Edition):

Pontes, Renato Borges. “Investigação em eletrônica molecular: um estudo via cálculos de primeiros princípios.” 2007. Web. 16 Oct 2019.

Vancouver:

Pontes RB. Investigação em eletrônica molecular: um estudo via cálculos de primeiros princípios. [Internet] [Doctoral dissertation]. University of São Paulo; 2007. [cited 2019 Oct 16]. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-05052009-185629/ ;.

Council of Science Editors:

Pontes RB. Investigação em eletrônica molecular: um estudo via cálculos de primeiros princípios. [Doctoral Dissertation]. University of São Paulo; 2007. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-05052009-185629/ ;


Kyoto University / 京都大学

47. Nakatani, Naoki. Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes : 発光タンパクおよび非ヘム鉄酵素の電子状態と反応過程に関する理論的研究.

Degree: 博士(工学), 2010, Kyoto University / 京都大学

新制・課程博士

甲第15396号

工博第3275号

Subjects/Keywords: Theoretical Chemistry; Electronic Structure Theory; Bioluminescence; Metalloenzyme

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APA (6th Edition):

Nakatani, N. (2010). Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes : 発光タンパクおよび非ヘム鉄酵素の電子状態と反応過程に関する理論的研究. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/120885 ; http://dx.doi.org/10.14989/doctor.k15396

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):

Nakatani, Naoki. “Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes : 発光タンパクおよび非ヘム鉄酵素の電子状態と反応過程に関する理論的研究.” 2010. Thesis, Kyoto University / 京都大学. Accessed October 16, 2019. http://hdl.handle.net/2433/120885 ; http://dx.doi.org/10.14989/doctor.k15396.

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

MLA Handbook (7th Edition):

Nakatani, Naoki. “Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes : 発光タンパクおよび非ヘム鉄酵素の電子状態と反応過程に関する理論的研究.” 2010. Web. 16 Oct 2019.

Vancouver:

Nakatani N. Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes : 発光タンパクおよび非ヘム鉄酵素の電子状態と反応過程に関する理論的研究. [Internet] [Thesis]. Kyoto University / 京都大学; 2010. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2433/120885 ; http://dx.doi.org/10.14989/doctor.k15396.

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

Council of Science Editors:

Nakatani N. Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes : 発光タンパクおよび非ヘム鉄酵素の電子状態と反応過程に関する理論的研究. [Thesis]. Kyoto University / 京都大学; 2010. Available from: http://hdl.handle.net/2433/120885 ; http://dx.doi.org/10.14989/doctor.k15396

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


University of Oulu

48. Roukala, J. (Juho). Magnetic resonance properties of metal-containing nanosystems.

Degree: 2016, University of Oulu

 Abstract This thesis presents computational first-principles investigations of nuclear magnetic resonance (NMR) parameters in metal-containing nanosystems. Special attention is paid to the relativistic effects observed… (more)

Subjects/Keywords: Monte Carlo simulation; density functional theory; electronic structure; magnetic resonance parameters; nuclear magnetic resonance spectroscopy; special relativity

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APA (6th Edition):

Roukala, J. (. (2016). Magnetic resonance properties of metal-containing nanosystems. (Doctoral Dissertation). University of Oulu. Retrieved from http://urn.fi/urn:isbn:9789526213279

Chicago Manual of Style (16th Edition):

Roukala, J (Juho). “Magnetic resonance properties of metal-containing nanosystems.” 2016. Doctoral Dissertation, University of Oulu. Accessed October 16, 2019. http://urn.fi/urn:isbn:9789526213279.

MLA Handbook (7th Edition):

Roukala, J (Juho). “Magnetic resonance properties of metal-containing nanosystems.” 2016. Web. 16 Oct 2019.

Vancouver:

Roukala J(. Magnetic resonance properties of metal-containing nanosystems. [Internet] [Doctoral dissertation]. University of Oulu; 2016. [cited 2019 Oct 16]. Available from: http://urn.fi/urn:isbn:9789526213279.

Council of Science Editors:

Roukala J(. Magnetic resonance properties of metal-containing nanosystems. [Doctoral Dissertation]. University of Oulu; 2016. Available from: http://urn.fi/urn:isbn:9789526213279


Kyoto University / 京都大学

49. Ohnishi, Yu-ya. Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation : 有機金属化学反応とその高精度計算を目的とした新規有効ポテンシャル法に関する理論的研究.

Degree: 博士(工学), 2009, Kyoto University / 京都大学

新制・課程博士

甲第14639号

工博第3107号

Subjects/Keywords: Theoretical chemistry; electronic structure theory; organometallic chemistry; catalytic reaction

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APA (6th Edition):

Ohnishi, Y. (2009). Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation : 有機金属化学反応とその高精度計算を目的とした新規有効ポテンシャル法に関する理論的研究. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/77996 ; http://dx.doi.org/10.14989/doctor.k14639

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):

Ohnishi, Yu-ya. “Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation : 有機金属化学反応とその高精度計算を目的とした新規有効ポテンシャル法に関する理論的研究.” 2009. Thesis, Kyoto University / 京都大学. Accessed October 16, 2019. http://hdl.handle.net/2433/77996 ; http://dx.doi.org/10.14989/doctor.k14639.

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

MLA Handbook (7th Edition):

Ohnishi, Yu-ya. “Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation : 有機金属化学反応とその高精度計算を目的とした新規有効ポテンシャル法に関する理論的研究.” 2009. Web. 16 Oct 2019.

Vancouver:

Ohnishi Y. Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation : 有機金属化学反応とその高精度計算を目的とした新規有効ポテンシャル法に関する理論的研究. [Internet] [Thesis]. Kyoto University / 京都大学; 2009. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2433/77996 ; http://dx.doi.org/10.14989/doctor.k14639.

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

Council of Science Editors:

Ohnishi Y. Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation : 有機金属化学反応とその高精度計算を目的とした新規有効ポテンシャル法に関する理論的研究. [Thesis]. Kyoto University / 京都大学; 2009. Available from: http://hdl.handle.net/2433/77996 ; http://dx.doi.org/10.14989/doctor.k14639

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


Kyoto University / 京都大学

50. Saito, Ken. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解.

Degree: 博士(工学), 2012, Kyoto University / 京都大学

新制・課程博士

甲第17162号

工博第3652号

Subjects/Keywords: Electronic structure theory; excited state chemistry; transition metal complex

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APA (6th Edition):

Saito, K. (2012). Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162

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):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解.” 2012. Thesis, Kyoto University / 京都大学. Accessed October 16, 2019. http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162.

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

MLA Handbook (7th Edition):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解.” 2012. Web. 16 Oct 2019.

Vancouver:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解. [Internet] [Thesis]. Kyoto University / 京都大学; 2012. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162.

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

Council of Science Editors:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures : 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解. [Thesis]. Kyoto University / 京都大学; 2012. Available from: http://hdl.handle.net/2433/161018 ; http://dx.doi.org/10.14989/doctor.k17162

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


Georgia Tech

51. Ringer, Ashley L. From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models.

Degree: PhD, Chemistry and Biochemistry, 2009, Georgia Tech

 Noncovalent interactions in complex chemical systems are examined by considering model systems which capture the essential physics of the interactions and applying correlated electronic structure(more)

Subjects/Keywords: Computational chemistry; Noncovalent interactions; Molecular recognition; Perturbation (Quantum dynamics); Quantum theory; Electrostatics; Electronic structure; Potential energy surfaces

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APA (6th Edition):

Ringer, A. L. (2009). From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/28089

Chicago Manual of Style (16th Edition):

Ringer, Ashley L. “From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models.” 2009. Doctoral Dissertation, Georgia Tech. Accessed October 16, 2019. http://hdl.handle.net/1853/28089.

MLA Handbook (7th Edition):

Ringer, Ashley L. “From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models.” 2009. Web. 16 Oct 2019.

Vancouver:

Ringer AL. From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models. [Internet] [Doctoral dissertation]. Georgia Tech; 2009. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/1853/28089.

Council of Science Editors:

Ringer AL. From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models. [Doctoral Dissertation]. Georgia Tech; 2009. Available from: http://hdl.handle.net/1853/28089


University of Alabama

52. Nelson, Daniel. Effects of experimental stream warming on community structure and function.

Degree: 2016, University of Alabama

 Climate change is affecting freshwater ecosystems worldwide. Warming temperatures have had profound impacts on the distribution of organisms, the timing of biological events, and the… (more)

Subjects/Keywords: Electronic Thesis or Dissertation;  – thesis; Ecology; Climate change; Entomology; Body Size; Climate Warming; Community Structure; Food Webs; Invertebrates; Metabolic Theory

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APA (6th Edition):

Nelson, D. (2016). Effects of experimental stream warming on community structure and function. (Thesis). University of Alabama. Retrieved from http://purl.lib.ua.edu/149889

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):

Nelson, Daniel. “Effects of experimental stream warming on community structure and function.” 2016. Thesis, University of Alabama. Accessed October 16, 2019. http://purl.lib.ua.edu/149889.

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

MLA Handbook (7th Edition):

Nelson, Daniel. “Effects of experimental stream warming on community structure and function.” 2016. Web. 16 Oct 2019.

Vancouver:

Nelson D. Effects of experimental stream warming on community structure and function. [Internet] [Thesis]. University of Alabama; 2016. [cited 2019 Oct 16]. Available from: http://purl.lib.ua.edu/149889.

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

Council of Science Editors:

Nelson D. Effects of experimental stream warming on community structure and function. [Thesis]. University of Alabama; 2016. Available from: http://purl.lib.ua.edu/149889

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


University of California – Riverside

53. Wickramaratne, Darshana. Electronic, Vibrational and Thermoelectric Properties of Two-Dimensional Materials.

Degree: Electrical Engineering, 2015, University of California – Riverside

 The discovery of graphene's unique electronic and thermal properties has moti-vated the search for new two-dimensional materials. Examples of these materialsinclude the layered two-dimensional transition… (more)

Subjects/Keywords: Electrical engineering; Materials Science; 2D materials; charge density wave; density functional theory; electronic structure; material physics; thermoelectrics

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APA (6th Edition):

Wickramaratne, D. (2015). Electronic, Vibrational and Thermoelectric Properties of Two-Dimensional Materials. (Thesis). University of California – Riverside. Retrieved from http://www.escholarship.org/uc/item/3d88b13x

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):

Wickramaratne, Darshana. “Electronic, Vibrational and Thermoelectric Properties of Two-Dimensional Materials.” 2015. Thesis, University of California – Riverside. Accessed October 16, 2019. http://www.escholarship.org/uc/item/3d88b13x.

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

MLA Handbook (7th Edition):

Wickramaratne, Darshana. “Electronic, Vibrational and Thermoelectric Properties of Two-Dimensional Materials.” 2015. Web. 16 Oct 2019.

Vancouver:

Wickramaratne D. Electronic, Vibrational and Thermoelectric Properties of Two-Dimensional Materials. [Internet] [Thesis]. University of California – Riverside; 2015. [cited 2019 Oct 16]. Available from: http://www.escholarship.org/uc/item/3d88b13x.

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

Council of Science Editors:

Wickramaratne D. Electronic, Vibrational and Thermoelectric Properties of Two-Dimensional Materials. [Thesis]. University of California – Riverside; 2015. Available from: http://www.escholarship.org/uc/item/3d88b13x

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


Kyoto University

54. Nakatani, Naoki. Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes .

Degree: 2010, Kyoto University

Subjects/Keywords: Theoretical Chemistry; Electronic Structure Theory; Bioluminescence; Metalloenzyme

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

APA (6th Edition):

Nakatani, N. (2010). Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes . (Thesis). Kyoto University. Retrieved from http://hdl.handle.net/2433/120885

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):

Nakatani, Naoki. “Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes .” 2010. Thesis, Kyoto University. Accessed October 16, 2019. http://hdl.handle.net/2433/120885.

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

MLA Handbook (7th Edition):

Nakatani, Naoki. “Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes .” 2010. Web. 16 Oct 2019.

Vancouver:

Nakatani N. Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes . [Internet] [Thesis]. Kyoto University; 2010. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2433/120885.

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

Council of Science Editors:

Nakatani N. Theoretical Studies of Photoproteins and Non-Heme Iron Enzymes: Electronic Structures and Reaction Processes . [Thesis]. Kyoto University; 2010. Available from: http://hdl.handle.net/2433/120885

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


Boston University

55. Chen, Bo. Study of the electronic structure of transition-metal oxides by synchrotron-based X-ray spectroscopies.

Degree: PhD, Physics, 2014, Boston University

 Transition-metal oxides (TMOs) display numerous fascinating and complex properties, such as mixed-valency, low dimensionality, lattice distortion, and phase transition, etc. These properties arise from the… (more)

Subjects/Keywords: Physics; Density-functional theory; Electronic structure; Transition-metal oxides; X-ray absorption spectroscopy; X-ray emission spectroscopy; X-ray photoemission spectroscopy

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

APA (6th Edition):

Chen, B. (2014). Study of the electronic structure of transition-metal oxides by synchrotron-based X-ray spectroscopies. (Doctoral Dissertation). Boston University. Retrieved from http://hdl.handle.net/2144/15385

Chicago Manual of Style (16th Edition):

Chen, Bo. “Study of the electronic structure of transition-metal oxides by synchrotron-based X-ray spectroscopies.” 2014. Doctoral Dissertation, Boston University. Accessed October 16, 2019. http://hdl.handle.net/2144/15385.

MLA Handbook (7th Edition):

Chen, Bo. “Study of the electronic structure of transition-metal oxides by synchrotron-based X-ray spectroscopies.” 2014. Web. 16 Oct 2019.

Vancouver:

Chen B. Study of the electronic structure of transition-metal oxides by synchrotron-based X-ray spectroscopies. [Internet] [Doctoral dissertation]. Boston University; 2014. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2144/15385.

Council of Science Editors:

Chen B. Study of the electronic structure of transition-metal oxides by synchrotron-based X-ray spectroscopies. [Doctoral Dissertation]. Boston University; 2014. Available from: http://hdl.handle.net/2144/15385


University of Lund

56. Hedström, Svante. Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications.

Degree: 2015, University of Lund

 Organic solar cells employing fullerenes blended with conjugated polymers as the main light-absorbing material have achieved power conversion efficiencies exceeding 10%. They hold promise as… (more)

Subjects/Keywords: Teoretisk kemi; Conjugated polymers; density functional theory; organic photovoltaics; light-harvesting capabilities; quantum chemistry; absorption spectra; electronic structure; computational predictions

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

APA (6th Edition):

Hedström, S. (2015). Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications. (Doctoral Dissertation). University of Lund. Retrieved from http://lup.lub.lu.se/record/5470126 ; http://portal.research.lu.se/ws/files/5584783/5470242.pdf

Chicago Manual of Style (16th Edition):

Hedström, Svante. “Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications.” 2015. Doctoral Dissertation, University of Lund. Accessed October 16, 2019. http://lup.lub.lu.se/record/5470126 ; http://portal.research.lu.se/ws/files/5584783/5470242.pdf.

MLA Handbook (7th Edition):

Hedström, Svante. “Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications.” 2015. Web. 16 Oct 2019.

Vancouver:

Hedström S. Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications. [Internet] [Doctoral dissertation]. University of Lund; 2015. [cited 2019 Oct 16]. Available from: http://lup.lub.lu.se/record/5470126 ; http://portal.research.lu.se/ws/files/5584783/5470242.pdf.

Council of Science Editors:

Hedström S. Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications. [Doctoral Dissertation]. University of Lund; 2015. Available from: http://lup.lub.lu.se/record/5470126 ; http://portal.research.lu.se/ws/files/5584783/5470242.pdf


Kyoto University

57. Saito, Ken. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures .

Degree: 2012, Kyoto University

Subjects/Keywords: Electronic structure theory; excited state chemistry; transition metal complex

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APA (6th Edition):

Saito, K. (2012). Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures . (Thesis). Kyoto University. Retrieved from http://hdl.handle.net/2433/161018

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):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures .” 2012. Thesis, Kyoto University. Accessed October 16, 2019. http://hdl.handle.net/2433/161018.

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

MLA Handbook (7th Edition):

Saito, Ken. “Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures .” 2012. Web. 16 Oct 2019.

Vancouver:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures . [Internet] [Thesis]. Kyoto University; 2012. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2433/161018.

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

Council of Science Editors:

Saito K. Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures . [Thesis]. Kyoto University; 2012. Available from: http://hdl.handle.net/2433/161018

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


Kyoto University

58. Ohnishi, Yu-ya. Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation .

Degree: 2009, Kyoto University

Subjects/Keywords: Theoretical chemistry; electronic structure theory; organometallic chemistry; catalytic reaction

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

APA (6th Edition):

Ohnishi, Y. (2009). Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation . (Thesis). Kyoto University. Retrieved from http://hdl.handle.net/2433/77996

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):

Ohnishi, Yu-ya. “Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation .” 2009. Thesis, Kyoto University. Accessed October 16, 2019. http://hdl.handle.net/2433/77996.

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

MLA Handbook (7th Edition):

Ohnishi, Yu-ya. “Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation .” 2009. Web. 16 Oct 2019.

Vancouver:

Ohnishi Y. Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation . [Internet] [Thesis]. Kyoto University; 2009. [cited 2019 Oct 16]. Available from: http://hdl.handle.net/2433/77996.

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

Council of Science Editors:

Ohnishi Y. Theoretical Studies on Organometallic Reactions and New Effective Potential for Highly Accurate Calculation . [Thesis]. Kyoto University; 2009. Available from: http://hdl.handle.net/2433/77996

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


Michigan Technological University

59. Jaishi, Meghnath. PROBING QUANTUM TRANSPORT IN THREE-TERMINAL NANOJUNCTIONS.

Degree: PhD, Department of Physics, 2018, Michigan Technological University

  One-dimensional (1D) nanoscale systems—structures with the lateral dimensions ranging from 1 nm to 100 nm — have received significant research interest due to their… (more)

Subjects/Keywords: Nanoscale Junction; Quantum Transport; Density Functional Theory; Electronic Structure; Magnetoresistance; Field Effect Transistor; Condensed Matter Physics

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

APA (6th Edition):

Jaishi, M. (2018). PROBING QUANTUM TRANSPORT IN THREE-TERMINAL NANOJUNCTIONS. (Doctoral Dissertation). Michigan Technological University. Retrieved from https://digitalcommons.mtu.edu/etdr/663

Chicago Manual of Style (16th Edition):

Jaishi, Meghnath. “PROBING QUANTUM TRANSPORT IN THREE-TERMINAL NANOJUNCTIONS.” 2018. Doctoral Dissertation, Michigan Technological University. Accessed October 16, 2019. https://digitalcommons.mtu.edu/etdr/663.

MLA Handbook (7th Edition):

Jaishi, Meghnath. “PROBING QUANTUM TRANSPORT IN THREE-TERMINAL NANOJUNCTIONS.” 2018. Web. 16 Oct 2019.

Vancouver:

Jaishi M. PROBING QUANTUM TRANSPORT IN THREE-TERMINAL NANOJUNCTIONS. [Internet] [Doctoral dissertation]. Michigan Technological University; 2018. [cited 2019 Oct 16]. Available from: https://digitalcommons.mtu.edu/etdr/663.

Council of Science Editors:

Jaishi M. PROBING QUANTUM TRANSPORT IN THREE-TERMINAL NANOJUNCTIONS. [Doctoral Dissertation]. Michigan Technological University; 2018. Available from: https://digitalcommons.mtu.edu/etdr/663


Duquesne University

60. Srnec, Matthew N. Rationalizing the Band Gap Tunability of Semiconductors via Electronic Structure Calculations.

Degree: PhD, Chemistry and Biochemistry, 2017, Duquesne University

  The polymorphs of titanium dioxide and various diamond-like semiconductor materials are promising candidates in photovoltaic solar cell applications. Several of these polymorphs have been… (more)

Subjects/Keywords: electronic structure; semiconductors; titanium dioxide; density functional theory; photovoltaic solar cells; Materials Chemistry; Numerical Analysis and Scientific Computing; Physical Chemistry

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

APA (6th Edition):

Srnec, M. N. (2017). Rationalizing the Band Gap Tunability of Semiconductors via Electronic Structure Calculations. (Doctoral Dissertation). Duquesne University. Retrieved from https://dsc.duq.edu/etd/245

Chicago Manual of Style (16th Edition):

Srnec, Matthew N. “Rationalizing the Band Gap Tunability of Semiconductors via Electronic Structure Calculations.” 2017. Doctoral Dissertation, Duquesne University. Accessed October 16, 2019. https://dsc.duq.edu/etd/245.

MLA Handbook (7th Edition):

Srnec, Matthew N. “Rationalizing the Band Gap Tunability of Semiconductors via Electronic Structure Calculations.” 2017. Web. 16 Oct 2019.

Vancouver:

Srnec MN. Rationalizing the Band Gap Tunability of Semiconductors via Electronic Structure Calculations. [Internet] [Doctoral dissertation]. Duquesne University; 2017. [cited 2019 Oct 16]. Available from: https://dsc.duq.edu/etd/245.

Council of Science Editors:

Srnec MN. Rationalizing the Band Gap Tunability of Semiconductors via Electronic Structure Calculations. [Doctoral Dissertation]. Duquesne University; 2017. Available from: https://dsc.duq.edu/etd/245

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