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You searched for subject:(DFT). Showing records 1 – 30 of 1334 total matches.

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1. Horowitz, Steven E. Strong Correlations in Aqueous Actinide Complexes.

Degree: PhD, Physics, 2011, Brown University

 Chemical reactions of the early actinide elements in aqueous solution are complex and challenging to predict. Quantitative models of actinide reactions must overcome several obstacles.… (more)

Subjects/Keywords: DFT

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APA (6th Edition):

Horowitz, S. E. (2011). Strong Correlations in Aqueous Actinide Complexes. (Doctoral Dissertation). Brown University. Retrieved from https://repository.library.brown.edu/studio/item/bdr:11226/

Chicago Manual of Style (16th Edition):

Horowitz, Steven E. “Strong Correlations in Aqueous Actinide Complexes.” 2011. Doctoral Dissertation, Brown University. Accessed August 08, 2020. https://repository.library.brown.edu/studio/item/bdr:11226/.

MLA Handbook (7th Edition):

Horowitz, Steven E. “Strong Correlations in Aqueous Actinide Complexes.” 2011. Web. 08 Aug 2020.

Vancouver:

Horowitz SE. Strong Correlations in Aqueous Actinide Complexes. [Internet] [Doctoral dissertation]. Brown University; 2011. [cited 2020 Aug 08]. Available from: https://repository.library.brown.edu/studio/item/bdr:11226/.

Council of Science Editors:

Horowitz SE. Strong Correlations in Aqueous Actinide Complexes. [Doctoral Dissertation]. Brown University; 2011. Available from: https://repository.library.brown.edu/studio/item/bdr:11226/

2. Li, Hui. Surface and Interface Engineering of Colloidal Metal Phosphide Nanocrystals for Electrocatalysis and Photoelectrocatalysis.

Degree: 2019, Wake Forest University

 Developing renewable energy conversion and storage systems, such as water splitting for hydrogen production and CO2 reduction for hydrocarbon generation, as well as using fuel… (more)

Subjects/Keywords: DFT

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APA (6th Edition):

Li, H. (2019). Surface and Interface Engineering of Colloidal Metal Phosphide Nanocrystals for Electrocatalysis and Photoelectrocatalysis. (Thesis). Wake Forest University. Retrieved from http://hdl.handle.net/10339/94310

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):

Li, Hui. “Surface and Interface Engineering of Colloidal Metal Phosphide Nanocrystals for Electrocatalysis and Photoelectrocatalysis.” 2019. Thesis, Wake Forest University. Accessed August 08, 2020. http://hdl.handle.net/10339/94310.

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

MLA Handbook (7th Edition):

Li, Hui. “Surface and Interface Engineering of Colloidal Metal Phosphide Nanocrystals for Electrocatalysis and Photoelectrocatalysis.” 2019. Web. 08 Aug 2020.

Vancouver:

Li H. Surface and Interface Engineering of Colloidal Metal Phosphide Nanocrystals for Electrocatalysis and Photoelectrocatalysis. [Internet] [Thesis]. Wake Forest University; 2019. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/10339/94310.

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

Council of Science Editors:

Li H. Surface and Interface Engineering of Colloidal Metal Phosphide Nanocrystals for Electrocatalysis and Photoelectrocatalysis. [Thesis]. Wake Forest University; 2019. Available from: http://hdl.handle.net/10339/94310

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

3. Fomin Nkengafeh, A. (author). Experimental analysis of design-for-testability techniques in SRAMs.

Degree: Electrical Engineering, Mathematics and Computer Science, Computer Engineering, 2008, Delft University of Technology

In this thesis the importance of DFTs in the detection of DRFs in embedded SRAMs have been presented. To illustrate their importance an accurate SRAM… (more)

Subjects/Keywords: dft

…35 5 Implementation and Evaluation of DFT 5.1 Evaluation of the Pause Test… …5.2 Implementation and Evaluation of DFT Techniques . . . . . . . . . . . . . . . 5.2.1… …Implementation and Evaluation of WWTM DFT technique . . . . . . 5.2.2 Implementation and Evaluation of… …NWRTM DFT Technique . . . . . 5.2.3 Implementation of PDWTM DFT Technique… …DFT circuit for FVT [9]… 

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APA (6th Edition):

Fomin Nkengafeh, A. (. (2008). Experimental analysis of design-for-testability techniques in SRAMs. (Masters Thesis). Delft University of Technology. Retrieved from http://resolver.tudelft.nl/uuid:6b44e9c9-bb91-4e3c-94b8-d4ba8cd9408e

Chicago Manual of Style (16th Edition):

Fomin Nkengafeh, A (author). “Experimental analysis of design-for-testability techniques in SRAMs.” 2008. Masters Thesis, Delft University of Technology. Accessed August 08, 2020. http://resolver.tudelft.nl/uuid:6b44e9c9-bb91-4e3c-94b8-d4ba8cd9408e.

MLA Handbook (7th Edition):

Fomin Nkengafeh, A (author). “Experimental analysis of design-for-testability techniques in SRAMs.” 2008. Web. 08 Aug 2020.

Vancouver:

Fomin Nkengafeh A(. Experimental analysis of design-for-testability techniques in SRAMs. [Internet] [Masters thesis]. Delft University of Technology; 2008. [cited 2020 Aug 08]. Available from: http://resolver.tudelft.nl/uuid:6b44e9c9-bb91-4e3c-94b8-d4ba8cd9408e.

Council of Science Editors:

Fomin Nkengafeh A(. Experimental analysis of design-for-testability techniques in SRAMs. [Masters Thesis]. Delft University of Technology; 2008. Available from: http://resolver.tudelft.nl/uuid:6b44e9c9-bb91-4e3c-94b8-d4ba8cd9408e


Texas State University – San Marcos

4. Cantrell, Samuel R. Optoelectronic Properties and Energetics of Defects and Impurities in NiO Studied Using Ab Initio Calculations.

Degree: MS, Physics, 2019, Texas State University – San Marcos

 Nickel oxide (NiO) is a transparent conducting oxide (TCO) which has shown potential for applications in the next generation of memristors for nonvolatile resistive RAM… (more)

Subjects/Keywords: DFT; NiO

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APA (6th Edition):

Cantrell, S. R. (2019). Optoelectronic Properties and Energetics of Defects and Impurities in NiO Studied Using Ab Initio Calculations. (Masters Thesis). Texas State University – San Marcos. Retrieved from https://digital.library.txstate.edu/handle/10877/9001

Chicago Manual of Style (16th Edition):

Cantrell, Samuel R. “Optoelectronic Properties and Energetics of Defects and Impurities in NiO Studied Using Ab Initio Calculations.” 2019. Masters Thesis, Texas State University – San Marcos. Accessed August 08, 2020. https://digital.library.txstate.edu/handle/10877/9001.

MLA Handbook (7th Edition):

Cantrell, Samuel R. “Optoelectronic Properties and Energetics of Defects and Impurities in NiO Studied Using Ab Initio Calculations.” 2019. Web. 08 Aug 2020.

Vancouver:

Cantrell SR. Optoelectronic Properties and Energetics of Defects and Impurities in NiO Studied Using Ab Initio Calculations. [Internet] [Masters thesis]. Texas State University – San Marcos; 2019. [cited 2020 Aug 08]. Available from: https://digital.library.txstate.edu/handle/10877/9001.

Council of Science Editors:

Cantrell SR. Optoelectronic Properties and Energetics of Defects and Impurities in NiO Studied Using Ab Initio Calculations. [Masters Thesis]. Texas State University – San Marcos; 2019. Available from: https://digital.library.txstate.edu/handle/10877/9001

5. Kervazo, Sophie. Computational actinide chemistry : structure, bonding and thermodynamics : Modélisation de la chimie des actinides : structure, liaison et thermodynamique.

Degree: Docteur es, Milieux dilués et optique fondamentale, 2018, Université Lille I – Sciences et Technologies

La question générale traitée dans cette thèse est de déterminer si, à l’heure actuelle, nous disposons d’outils théoriques efficaces pour décrire la structure, la liaison… (more)

Subjects/Keywords: DFT; 546.42

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APA (6th Edition):

Kervazo, S. (2018). Computational actinide chemistry : structure, bonding and thermodynamics : Modélisation de la chimie des actinides : structure, liaison et thermodynamique. (Doctoral Dissertation). Université Lille I – Sciences et Technologies. Retrieved from http://www.theses.fr/2018LIL1R042

Chicago Manual of Style (16th Edition):

Kervazo, Sophie. “Computational actinide chemistry : structure, bonding and thermodynamics : Modélisation de la chimie des actinides : structure, liaison et thermodynamique.” 2018. Doctoral Dissertation, Université Lille I – Sciences et Technologies. Accessed August 08, 2020. http://www.theses.fr/2018LIL1R042.

MLA Handbook (7th Edition):

Kervazo, Sophie. “Computational actinide chemistry : structure, bonding and thermodynamics : Modélisation de la chimie des actinides : structure, liaison et thermodynamique.” 2018. Web. 08 Aug 2020.

Vancouver:

Kervazo S. Computational actinide chemistry : structure, bonding and thermodynamics : Modélisation de la chimie des actinides : structure, liaison et thermodynamique. [Internet] [Doctoral dissertation]. Université Lille I – Sciences et Technologies; 2018. [cited 2020 Aug 08]. Available from: http://www.theses.fr/2018LIL1R042.

Council of Science Editors:

Kervazo S. Computational actinide chemistry : structure, bonding and thermodynamics : Modélisation de la chimie des actinides : structure, liaison et thermodynamique. [Doctoral Dissertation]. Université Lille I – Sciences et Technologies; 2018. Available from: http://www.theses.fr/2018LIL1R042


Mississippi State University

6. Kim, Sungho. First-Principles Study of Semiconductor and Metal Surfaces.

Degree: PhD, Physics and Astronomy, 2005, Mississippi State University

 In this dissertation, we study the electronic and geometric structure of semiconductors and metal surfaces based on quantum mechanical first-principles calculations. We determine the geometry… (more)

Subjects/Keywords: DFT

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APA (6th Edition):

Kim, S. (2005). First-Principles Study of Semiconductor and Metal Surfaces. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-07082005-201622/ ;

Chicago Manual of Style (16th Edition):

Kim, Sungho. “First-Principles Study of Semiconductor and Metal Surfaces.” 2005. Doctoral Dissertation, Mississippi State University. Accessed August 08, 2020. http://sun.library.msstate.edu/ETD-db/theses/available/etd-07082005-201622/ ;.

MLA Handbook (7th Edition):

Kim, Sungho. “First-Principles Study of Semiconductor and Metal Surfaces.” 2005. Web. 08 Aug 2020.

Vancouver:

Kim S. First-Principles Study of Semiconductor and Metal Surfaces. [Internet] [Doctoral dissertation]. Mississippi State University; 2005. [cited 2020 Aug 08]. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07082005-201622/ ;.

Council of Science Editors:

Kim S. First-Principles Study of Semiconductor and Metal Surfaces. [Doctoral Dissertation]. Mississippi State University; 2005. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-07082005-201622/ ;

7. Jin, Yifan. Ionization Potential Improved Consistent Density Functional Theory.

Degree: PhD, Chemistry, 2017, University of Florida

 One of the most challenging problems in electronic structure theory is to calculate the correlation energy. The two-particle ab initio methods such as many-body perturbation… (more)

Subjects/Keywords: dft

DFT methods… …applied to large systems. The one-particle density functional theory (DFT), on the… …accuracy could be maintained by choosing an appropriate functional. The major problem for the DFT… …is no such systematic route for the traditional DFT methods. The two-particle coupled… …the standard Kohn-Sham DFT methods, that is, to create the new density functionals of which… 

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APA (6th Edition):

Jin, Y. (2017). Ionization Potential Improved Consistent Density Functional Theory. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0050944

Chicago Manual of Style (16th Edition):

Jin, Yifan. “Ionization Potential Improved Consistent Density Functional Theory.” 2017. Doctoral Dissertation, University of Florida. Accessed August 08, 2020. https://ufdc.ufl.edu/UFE0050944.

MLA Handbook (7th Edition):

Jin, Yifan. “Ionization Potential Improved Consistent Density Functional Theory.” 2017. Web. 08 Aug 2020.

Vancouver:

Jin Y. Ionization Potential Improved Consistent Density Functional Theory. [Internet] [Doctoral dissertation]. University of Florida; 2017. [cited 2020 Aug 08]. Available from: https://ufdc.ufl.edu/UFE0050944.

Council of Science Editors:

Jin Y. Ionization Potential Improved Consistent Density Functional Theory. [Doctoral Dissertation]. University of Florida; 2017. Available from: https://ufdc.ufl.edu/UFE0050944

8. Riera Junior, Alberto Torres. Defeitos em nanofitas de Grafeno zigzag.

Degree: Mestrado, Física, 2008, University of São Paulo

Grafeno e nanofitas de grafeno vêm, cada vez mais, atraindo o interesse da comunidade científica devido as suas notáveis propriedades. Neste trabalho realizou-se um estudo… (more)

Subjects/Keywords: DFT; DFT; Grafeno; Graphene; Nanofitas; Nanoribbons

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APA (6th Edition):

Riera Junior, A. T. (2008). Defeitos em nanofitas de Grafeno zigzag. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/43/43134/tde-10032009-123202/ ;

Chicago Manual of Style (16th Edition):

Riera Junior, Alberto Torres. “Defeitos em nanofitas de Grafeno zigzag.” 2008. Masters Thesis, University of São Paulo. Accessed August 08, 2020. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-10032009-123202/ ;.

MLA Handbook (7th Edition):

Riera Junior, Alberto Torres. “Defeitos em nanofitas de Grafeno zigzag.” 2008. Web. 08 Aug 2020.

Vancouver:

Riera Junior AT. Defeitos em nanofitas de Grafeno zigzag. [Internet] [Masters thesis]. University of São Paulo; 2008. [cited 2020 Aug 08]. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-10032009-123202/ ;.

Council of Science Editors:

Riera Junior AT. Defeitos em nanofitas de Grafeno zigzag. [Masters Thesis]. University of São Paulo; 2008. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-10032009-123202/ ;

9. Azarias, Cloé. Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines.

Degree: Docteur es, Chimie théorique, physique, analytique, 2018, Nantes

Cette thèse porte sur la modélisation des propriétés structurales, aromatiques et spectroscopiques d'une nouvelle classe de macrocycles alternatifs aux porphyrines, les azacalixphyrines (ACPs). Ces macrocycles… (more)

Subjects/Keywords: Calculs ab initio; Azacalixphyrine; TD-DFT; DFT

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APA (6th Edition):

Azarias, C. (2018). Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines. (Doctoral Dissertation). Nantes. Retrieved from http://www.theses.fr/2018NANT4021

Chicago Manual of Style (16th Edition):

Azarias, Cloé. “Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines.” 2018. Doctoral Dissertation, Nantes. Accessed August 08, 2020. http://www.theses.fr/2018NANT4021.

MLA Handbook (7th Edition):

Azarias, Cloé. “Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines.” 2018. Web. 08 Aug 2020.

Vancouver:

Azarias C. Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines. [Internet] [Doctoral dissertation]. Nantes; 2018. [cited 2020 Aug 08]. Available from: http://www.theses.fr/2018NANT4021.

Council of Science Editors:

Azarias C. Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines. [Doctoral Dissertation]. Nantes; 2018. Available from: http://www.theses.fr/2018NANT4021


University of California – San Diego

10. Song, Duo. Structure, chemical dynamics and electron localization in the mineral and surface interface.

Degree: Chemistry and Biochemistry, 2019, University of California – San Diego

 Reactions in the mineral surface/reservoir fluid interface control geochemical processes such as the dissolution and growth of minerals. In this dissertation we present properties of… (more)

Subjects/Keywords: Chemistry; DFT; DFT+U; DMFT; hematite; localization

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APA (6th Edition):

Song, D. (2019). Structure, chemical dynamics and electron localization in the mineral and surface interface. (Thesis). University of California – San Diego. Retrieved from http://www.escholarship.org/uc/item/1vj3p2tx

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):

Song, Duo. “Structure, chemical dynamics and electron localization in the mineral and surface interface.” 2019. Thesis, University of California – San Diego. Accessed August 08, 2020. http://www.escholarship.org/uc/item/1vj3p2tx.

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

MLA Handbook (7th Edition):

Song, Duo. “Structure, chemical dynamics and electron localization in the mineral and surface interface.” 2019. Web. 08 Aug 2020.

Vancouver:

Song D. Structure, chemical dynamics and electron localization in the mineral and surface interface. [Internet] [Thesis]. University of California – San Diego; 2019. [cited 2020 Aug 08]. Available from: http://www.escholarship.org/uc/item/1vj3p2tx.

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

Council of Science Editors:

Song D. Structure, chemical dynamics and electron localization in the mineral and surface interface. [Thesis]. University of California – San Diego; 2019. Available from: http://www.escholarship.org/uc/item/1vj3p2tx

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

11. Malheiro, Carine. Adsorption de systèmes gaz/eau en milieu confiné : modélisation par une approche DFT/SAFT couplée à une étude expérimentale : Adsorption of gas/water systems in confined media : DFT/SAFT modelling coupling to an experimental study.

Degree: Docteur es, Physique, 2014, Pau

La compréhension des phénomènes d’adsorption de gaz en présence d’eau dans des milieux confinés est une problématique importante tant d’un point de vue fondamental que… (more)

Subjects/Keywords: Adsorption; SAFT; DFT; Adsorption; SAFT; DFT

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APA (6th Edition):

Malheiro, C. (2014). Adsorption de systèmes gaz/eau en milieu confiné : modélisation par une approche DFT/SAFT couplée à une étude expérimentale : Adsorption of gas/water systems in confined media : DFT/SAFT modelling coupling to an experimental study. (Doctoral Dissertation). Pau. Retrieved from http://www.theses.fr/2014PAUU3022

Chicago Manual of Style (16th Edition):

Malheiro, Carine. “Adsorption de systèmes gaz/eau en milieu confiné : modélisation par une approche DFT/SAFT couplée à une étude expérimentale : Adsorption of gas/water systems in confined media : DFT/SAFT modelling coupling to an experimental study.” 2014. Doctoral Dissertation, Pau. Accessed August 08, 2020. http://www.theses.fr/2014PAUU3022.

MLA Handbook (7th Edition):

Malheiro, Carine. “Adsorption de systèmes gaz/eau en milieu confiné : modélisation par une approche DFT/SAFT couplée à une étude expérimentale : Adsorption of gas/water systems in confined media : DFT/SAFT modelling coupling to an experimental study.” 2014. Web. 08 Aug 2020.

Vancouver:

Malheiro C. Adsorption de systèmes gaz/eau en milieu confiné : modélisation par une approche DFT/SAFT couplée à une étude expérimentale : Adsorption of gas/water systems in confined media : DFT/SAFT modelling coupling to an experimental study. [Internet] [Doctoral dissertation]. Pau; 2014. [cited 2020 Aug 08]. Available from: http://www.theses.fr/2014PAUU3022.

Council of Science Editors:

Malheiro C. Adsorption de systèmes gaz/eau en milieu confiné : modélisation par une approche DFT/SAFT couplée à une étude expérimentale : Adsorption of gas/water systems in confined media : DFT/SAFT modelling coupling to an experimental study. [Doctoral Dissertation]. Pau; 2014. Available from: http://www.theses.fr/2014PAUU3022

12. Gam, Franck. Modelization of stable metal clusters containing Group 11 elements : Modélisation de clusters stables contenant des métaux de transition du groupe 11.

Degree: Docteur es, Chimie, 2018, Rennes 1; Universidad Andrés Bello (Santiago)

Les travaux décrits dans ce mémoire portent sur le calcul de la structure électronique de clusters homo- ou hétéro-nucléaires de métaux du groupe 11, afin… (more)

Subjects/Keywords: DFT; Clusters; Superatomes; DFT; Clusters; Superatoms

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APA (6th Edition):

Gam, F. (2018). Modelization of stable metal clusters containing Group 11 elements : Modélisation de clusters stables contenant des métaux de transition du groupe 11. (Doctoral Dissertation). Rennes 1; Universidad Andrés Bello (Santiago). Retrieved from http://www.theses.fr/2018REN1S048

Chicago Manual of Style (16th Edition):

Gam, Franck. “Modelization of stable metal clusters containing Group 11 elements : Modélisation de clusters stables contenant des métaux de transition du groupe 11.” 2018. Doctoral Dissertation, Rennes 1; Universidad Andrés Bello (Santiago). Accessed August 08, 2020. http://www.theses.fr/2018REN1S048.

MLA Handbook (7th Edition):

Gam, Franck. “Modelization of stable metal clusters containing Group 11 elements : Modélisation de clusters stables contenant des métaux de transition du groupe 11.” 2018. Web. 08 Aug 2020.

Vancouver:

Gam F. Modelization of stable metal clusters containing Group 11 elements : Modélisation de clusters stables contenant des métaux de transition du groupe 11. [Internet] [Doctoral dissertation]. Rennes 1; Universidad Andrés Bello (Santiago); 2018. [cited 2020 Aug 08]. Available from: http://www.theses.fr/2018REN1S048.

Council of Science Editors:

Gam F. Modelization of stable metal clusters containing Group 11 elements : Modélisation de clusters stables contenant des métaux de transition du groupe 11. [Doctoral Dissertation]. Rennes 1; Universidad Andrés Bello (Santiago); 2018. Available from: http://www.theses.fr/2018REN1S048

13. Grekov, Denys. Apport de la RMN du solide de l’17O à l’étude structurale d’espèces moléculaires et greffées sur silice pour la métathèse des oléfines : Input from solid state 17O NMR into structural investigations on molecular and silica-grafted species relevant to olefin metathesis.

Degree: Docteur es, Molécules et matière condensée, 2016, Université Lille I – Sciences et Technologies

Ce manuscrit décrit l’application de la RMN du solide de l’17O à l’étude structurale d’espèces oxo de tungstène bien définies en lien avec des catalyseurs… (more)

Subjects/Keywords: Calculs DFT; 543.66

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APA (6th Edition):

Grekov, D. (2016). Apport de la RMN du solide de l’17O à l’étude structurale d’espèces moléculaires et greffées sur silice pour la métathèse des oléfines : Input from solid state 17O NMR into structural investigations on molecular and silica-grafted species relevant to olefin metathesis. (Doctoral Dissertation). Université Lille I – Sciences et Technologies. Retrieved from http://www.theses.fr/2016LIL10104

Chicago Manual of Style (16th Edition):

Grekov, Denys. “Apport de la RMN du solide de l’17O à l’étude structurale d’espèces moléculaires et greffées sur silice pour la métathèse des oléfines : Input from solid state 17O NMR into structural investigations on molecular and silica-grafted species relevant to olefin metathesis.” 2016. Doctoral Dissertation, Université Lille I – Sciences et Technologies. Accessed August 08, 2020. http://www.theses.fr/2016LIL10104.

MLA Handbook (7th Edition):

Grekov, Denys. “Apport de la RMN du solide de l’17O à l’étude structurale d’espèces moléculaires et greffées sur silice pour la métathèse des oléfines : Input from solid state 17O NMR into structural investigations on molecular and silica-grafted species relevant to olefin metathesis.” 2016. Web. 08 Aug 2020.

Vancouver:

Grekov D. Apport de la RMN du solide de l’17O à l’étude structurale d’espèces moléculaires et greffées sur silice pour la métathèse des oléfines : Input from solid state 17O NMR into structural investigations on molecular and silica-grafted species relevant to olefin metathesis. [Internet] [Doctoral dissertation]. Université Lille I – Sciences et Technologies; 2016. [cited 2020 Aug 08]. Available from: http://www.theses.fr/2016LIL10104.

Council of Science Editors:

Grekov D. Apport de la RMN du solide de l’17O à l’étude structurale d’espèces moléculaires et greffées sur silice pour la métathèse des oléfines : Input from solid state 17O NMR into structural investigations on molecular and silica-grafted species relevant to olefin metathesis. [Doctoral Dissertation]. Université Lille I – Sciences et Technologies; 2016. Available from: http://www.theses.fr/2016LIL10104

14. Doux, Jean-Marie. Recherche exploratoire de nouveaux matériaux d'électrolyte pour piles à combustible et électrolyseurs à oxyde solide (SOFC et SOEC) : Search for alternative materials for solid oxide fuel cells : syntheses and characterizations of oxyborates.

Degree: Docteur es, Chimie des matériaux, 2017, Nantes

Ces travaux portent sur la recherche de matériaux alternatifs d’électrolyte ou d’électrodes de piles à combustible à oxyde solide. Une méthodologie basée sur la composition… (more)

Subjects/Keywords: XPS; DFT; SOFC

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APA (6th Edition):

Doux, J. (2017). Recherche exploratoire de nouveaux matériaux d'électrolyte pour piles à combustible et électrolyseurs à oxyde solide (SOFC et SOEC) : Search for alternative materials for solid oxide fuel cells : syntheses and characterizations of oxyborates. (Doctoral Dissertation). Nantes. Retrieved from http://www.theses.fr/2017NANT4094

Chicago Manual of Style (16th Edition):

Doux, Jean-Marie. “Recherche exploratoire de nouveaux matériaux d'électrolyte pour piles à combustible et électrolyseurs à oxyde solide (SOFC et SOEC) : Search for alternative materials for solid oxide fuel cells : syntheses and characterizations of oxyborates.” 2017. Doctoral Dissertation, Nantes. Accessed August 08, 2020. http://www.theses.fr/2017NANT4094.

MLA Handbook (7th Edition):

Doux, Jean-Marie. “Recherche exploratoire de nouveaux matériaux d'électrolyte pour piles à combustible et électrolyseurs à oxyde solide (SOFC et SOEC) : Search for alternative materials for solid oxide fuel cells : syntheses and characterizations of oxyborates.” 2017. Web. 08 Aug 2020.

Vancouver:

Doux J. Recherche exploratoire de nouveaux matériaux d'électrolyte pour piles à combustible et électrolyseurs à oxyde solide (SOFC et SOEC) : Search for alternative materials for solid oxide fuel cells : syntheses and characterizations of oxyborates. [Internet] [Doctoral dissertation]. Nantes; 2017. [cited 2020 Aug 08]. Available from: http://www.theses.fr/2017NANT4094.

Council of Science Editors:

Doux J. Recherche exploratoire de nouveaux matériaux d'électrolyte pour piles à combustible et électrolyseurs à oxyde solide (SOFC et SOEC) : Search for alternative materials for solid oxide fuel cells : syntheses and characterizations of oxyborates. [Doctoral Dissertation]. Nantes; 2017. Available from: http://www.theses.fr/2017NANT4094


University of Oklahoma

15. bababrik, Mohammed Reda. Developing Selective Conversion of Oxygenates through a Combined Experimental and Computational Approach.

Degree: PhD, 2019, University of Oklahoma

 Hydrogenation and hydrogenolysis reaction and solvent effect on catalytic reactions have been carried out traditionally in batch reactors under high temperature , and pressure conditions… (more)

Subjects/Keywords: Catalysis; DFT; Electrocatalysis

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APA (6th Edition):

bababrik, M. R. (2019). Developing Selective Conversion of Oxygenates through a Combined Experimental and Computational Approach. (Doctoral Dissertation). University of Oklahoma. Retrieved from http://hdl.handle.net/11244/323240

Chicago Manual of Style (16th Edition):

bababrik, Mohammed Reda. “Developing Selective Conversion of Oxygenates through a Combined Experimental and Computational Approach.” 2019. Doctoral Dissertation, University of Oklahoma. Accessed August 08, 2020. http://hdl.handle.net/11244/323240.

MLA Handbook (7th Edition):

bababrik, Mohammed Reda. “Developing Selective Conversion of Oxygenates through a Combined Experimental and Computational Approach.” 2019. Web. 08 Aug 2020.

Vancouver:

bababrik MR. Developing Selective Conversion of Oxygenates through a Combined Experimental and Computational Approach. [Internet] [Doctoral dissertation]. University of Oklahoma; 2019. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/11244/323240.

Council of Science Editors:

bababrik MR. Developing Selective Conversion of Oxygenates through a Combined Experimental and Computational Approach. [Doctoral Dissertation]. University of Oklahoma; 2019. Available from: http://hdl.handle.net/11244/323240


Victoria University of Wellington

16. Welsh, Ivan. A Density Functional Theory Investigation of Intramolecular Dispersion Forces in Buckyball-Buckybowl Complexes.

Degree: 2013, Victoria University of Wellington

 The electron-rich, concave face of corannulene makes it an ideal candidate to host electron-deficient fullerenes, such as C60. The host–guest system is dominated by weak… (more)

Subjects/Keywords: Computational; DFT; Dispersion

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APA (6th Edition):

Welsh, I. (2013). A Density Functional Theory Investigation of Intramolecular Dispersion Forces in Buckyball-Buckybowl Complexes. (Masters Thesis). Victoria University of Wellington. Retrieved from http://hdl.handle.net/10063/2692

Chicago Manual of Style (16th Edition):

Welsh, Ivan. “A Density Functional Theory Investigation of Intramolecular Dispersion Forces in Buckyball-Buckybowl Complexes.” 2013. Masters Thesis, Victoria University of Wellington. Accessed August 08, 2020. http://hdl.handle.net/10063/2692.

MLA Handbook (7th Edition):

Welsh, Ivan. “A Density Functional Theory Investigation of Intramolecular Dispersion Forces in Buckyball-Buckybowl Complexes.” 2013. Web. 08 Aug 2020.

Vancouver:

Welsh I. A Density Functional Theory Investigation of Intramolecular Dispersion Forces in Buckyball-Buckybowl Complexes. [Internet] [Masters thesis]. Victoria University of Wellington; 2013. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/10063/2692.

Council of Science Editors:

Welsh I. A Density Functional Theory Investigation of Intramolecular Dispersion Forces in Buckyball-Buckybowl Complexes. [Masters Thesis]. Victoria University of Wellington; 2013. Available from: http://hdl.handle.net/10063/2692


University of New South Wales

17. Yi, Wenhan. The Structural and Electronic Properties of BiVO4 with Several Different Dopants.

Degree: Materials Science & Engineering, 2020, University of New South Wales

 Solar energy is regarded as a promising alternative renewable energy to replace traditional energy sources, such as fossil fuels. However, the problem with solar energy… (more)

Subjects/Keywords: DFT; BiVO4; Doping

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APA (6th Edition):

Yi, W. (2020). The Structural and Electronic Properties of BiVO4 with Several Different Dopants. (Masters Thesis). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/67716 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:68442/SOURCE02?view=true

Chicago Manual of Style (16th Edition):

Yi, Wenhan. “The Structural and Electronic Properties of BiVO4 with Several Different Dopants.” 2020. Masters Thesis, University of New South Wales. Accessed August 08, 2020. http://handle.unsw.edu.au/1959.4/67716 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:68442/SOURCE02?view=true.

MLA Handbook (7th Edition):

Yi, Wenhan. “The Structural and Electronic Properties of BiVO4 with Several Different Dopants.” 2020. Web. 08 Aug 2020.

Vancouver:

Yi W. The Structural and Electronic Properties of BiVO4 with Several Different Dopants. [Internet] [Masters thesis]. University of New South Wales; 2020. [cited 2020 Aug 08]. Available from: http://handle.unsw.edu.au/1959.4/67716 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:68442/SOURCE02?view=true.

Council of Science Editors:

Yi W. The Structural and Electronic Properties of BiVO4 with Several Different Dopants. [Masters Thesis]. University of New South Wales; 2020. Available from: http://handle.unsw.edu.au/1959.4/67716 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:68442/SOURCE02?view=true


Universitat Rovira i Virgili

18. Abella Guzman, Laura. Computations on Fullerenes: Characterization, Reactivity and Growth.

Degree: Departament de Química Física i Inorgànica, 2017, Universitat Rovira i Virgili

 The Thesis titled ‘Computations on Fullerenes: Characterization, Reactivity and Growth’ is mainly focused on the formation mechanisms and characterization of fullerenes previously detected in experiments.… (more)

Subjects/Keywords: ful·lerens; clusterful·lerens; càlculs DFT; fullerenos; clusterfullerenos; cálculos DFT; fullerenes; clusterfullerenes; DFT calculations; Ciències; 54; 544

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APA (6th Edition):

Abella Guzman, L. (2017). Computations on Fullerenes: Characterization, Reactivity and Growth. (Thesis). Universitat Rovira i Virgili. Retrieved from http://hdl.handle.net/10803/460692

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):

Abella Guzman, Laura. “Computations on Fullerenes: Characterization, Reactivity and Growth.” 2017. Thesis, Universitat Rovira i Virgili. Accessed August 08, 2020. http://hdl.handle.net/10803/460692.

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

MLA Handbook (7th Edition):

Abella Guzman, Laura. “Computations on Fullerenes: Characterization, Reactivity and Growth.” 2017. Web. 08 Aug 2020.

Vancouver:

Abella Guzman L. Computations on Fullerenes: Characterization, Reactivity and Growth. [Internet] [Thesis]. Universitat Rovira i Virgili; 2017. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/10803/460692.

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

Council of Science Editors:

Abella Guzman L. Computations on Fullerenes: Characterization, Reactivity and Growth. [Thesis]. Universitat Rovira i Virgili; 2017. Available from: http://hdl.handle.net/10803/460692

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

19. Azevedo, Douglas Henrique Marcelino de [UNESP]. Propriedades estruturais e eletrônicas de filmes finos de PbO2, filmes finos de TiO2 e filmes finos de TiO2 dopados com chumbo.

Degree: 2017, Universidade Estadual Paulista

Com a constante busca o avanço tecnológico para satisfazer as necessidades da nossa sociedade, verifica-se uma preocupação da sociedade com menor degradação do meio ambiente.… (more)

Subjects/Keywords: PbO2; TiO2; DFT; Rutilo; Rutile

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APA (6th Edition):

Azevedo, D. H. M. d. [. (2017). Propriedades estruturais e eletrônicas de filmes finos de PbO2, filmes finos de TiO2 e filmes finos de TiO2 dopados com chumbo. (Thesis). Universidade Estadual Paulista. Retrieved from http://hdl.handle.net/11449/148837

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):

Azevedo, Douglas Henrique Marcelino de [UNESP]. “Propriedades estruturais e eletrônicas de filmes finos de PbO2, filmes finos de TiO2 e filmes finos de TiO2 dopados com chumbo.” 2017. Thesis, Universidade Estadual Paulista. Accessed August 08, 2020. http://hdl.handle.net/11449/148837.

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

MLA Handbook (7th Edition):

Azevedo, Douglas Henrique Marcelino de [UNESP]. “Propriedades estruturais e eletrônicas de filmes finos de PbO2, filmes finos de TiO2 e filmes finos de TiO2 dopados com chumbo.” 2017. Web. 08 Aug 2020.

Vancouver:

Azevedo DHMd[. Propriedades estruturais e eletrônicas de filmes finos de PbO2, filmes finos de TiO2 e filmes finos de TiO2 dopados com chumbo. [Internet] [Thesis]. Universidade Estadual Paulista; 2017. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/11449/148837.

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

Council of Science Editors:

Azevedo DHMd[. Propriedades estruturais e eletrônicas de filmes finos de PbO2, filmes finos de TiO2 e filmes finos de TiO2 dopados com chumbo. [Thesis]. Universidade Estadual Paulista; 2017. Available from: http://hdl.handle.net/11449/148837

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


University of Minnesota

20. Purchel, Anatolii. Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins.

Degree: MS, Chemistry, 2013, University of Minnesota

University of Minnesota M.S. thesis. August 2013. Major: Chemistry. Advisor: Dr. Victor Nemykin. 1 computer file (PDF); viii, 107 pages.

Nano-sized molecular-based platforms provide a… (more)

Subjects/Keywords: DFT; Porphyrin; Spectroelectrochemistry; Tetraazaporphyrin

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

APA (6th Edition):

Purchel, A. (2013). Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins. (Masters Thesis). University of Minnesota. Retrieved from http://purl.umn.edu/160259

Chicago Manual of Style (16th Edition):

Purchel, Anatolii. “Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins.” 2013. Masters Thesis, University of Minnesota. Accessed August 08, 2020. http://purl.umn.edu/160259.

MLA Handbook (7th Edition):

Purchel, Anatolii. “Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins.” 2013. Web. 08 Aug 2020.

Vancouver:

Purchel A. Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins. [Internet] [Masters thesis]. University of Minnesota; 2013. [cited 2020 Aug 08]. Available from: http://purl.umn.edu/160259.

Council of Science Editors:

Purchel A. Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins. [Masters Thesis]. University of Minnesota; 2013. Available from: http://purl.umn.edu/160259


Penn State University

21. Chia, Cheng Ing. Geometrically constrained nanoscale materials.

Degree: PhD, Physics, 2012, Penn State University

 Nano-materials are a main topic in condensed matter research because of unusual properties that originate from quantum mechanical effects at this length scale. In this… (more)

Subjects/Keywords: DFT; graphene; topological frustration; nanoribbon

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APA (6th Edition):

Chia, C. I. (2012). Geometrically constrained nanoscale materials. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/14962

Chicago Manual of Style (16th Edition):

Chia, Cheng Ing. “Geometrically constrained nanoscale materials.” 2012. Doctoral Dissertation, Penn State University. Accessed August 08, 2020. https://etda.libraries.psu.edu/catalog/14962.

MLA Handbook (7th Edition):

Chia, Cheng Ing. “Geometrically constrained nanoscale materials.” 2012. Web. 08 Aug 2020.

Vancouver:

Chia CI. Geometrically constrained nanoscale materials. [Internet] [Doctoral dissertation]. Penn State University; 2012. [cited 2020 Aug 08]. Available from: https://etda.libraries.psu.edu/catalog/14962.

Council of Science Editors:

Chia CI. Geometrically constrained nanoscale materials. [Doctoral Dissertation]. Penn State University; 2012. Available from: https://etda.libraries.psu.edu/catalog/14962


Penn State University

22. Rostamikia, Gholamreza. BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM.

Degree: MS, Chemical Engineering, 2009, Penn State University

 Direct borohydride fuel cells (DBFCs) offer the potential for direct chemical to electrical energy conversion from a high specific energy, water soluble fuel. The lack… (more)

Subjects/Keywords: DBFC; Borohydride; DFT; Electrocatalysis

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APA (6th Edition):

Rostamikia, G. (2009). BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/10453

Chicago Manual of Style (16th Edition):

Rostamikia, Gholamreza. “BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM.” 2009. Masters Thesis, Penn State University. Accessed August 08, 2020. https://etda.libraries.psu.edu/catalog/10453.

MLA Handbook (7th Edition):

Rostamikia, Gholamreza. “BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM.” 2009. Web. 08 Aug 2020.

Vancouver:

Rostamikia G. BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM. [Internet] [Masters thesis]. Penn State University; 2009. [cited 2020 Aug 08]. Available from: https://etda.libraries.psu.edu/catalog/10453.

Council of Science Editors:

Rostamikia G. BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM. [Masters Thesis]. Penn State University; 2009. Available from: https://etda.libraries.psu.edu/catalog/10453


Penn State University

23. Shahidi Pour Savizi, Iman. EFFECTS OF ELECTROLYTE ON THE CATHODE PERFORMANCE OF MICROBIAL FUEL CELLS AND MICROBIAL ELECTROLYSIS CELLS.

Degree: MS, Chemical Engineering, 2010, Penn State University

 Anion adsorption affects electro-catalytic reaction rates by blocking active sites, altering adsorbed species stability, or modifying the electrostatic potential distribution at the interface. Of specific… (more)

Subjects/Keywords: DFT; MFC; MEC; adsorption; electrolyte

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APA (6th Edition):

Shahidi Pour Savizi, I. (2010). EFFECTS OF ELECTROLYTE ON THE CATHODE PERFORMANCE OF MICROBIAL FUEL CELLS AND MICROBIAL ELECTROLYSIS CELLS. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9158

Chicago Manual of Style (16th Edition):

Shahidi Pour Savizi, Iman. “EFFECTS OF ELECTROLYTE ON THE CATHODE PERFORMANCE OF MICROBIAL FUEL CELLS AND MICROBIAL ELECTROLYSIS CELLS.” 2010. Masters Thesis, Penn State University. Accessed August 08, 2020. https://etda.libraries.psu.edu/catalog/9158.

MLA Handbook (7th Edition):

Shahidi Pour Savizi, Iman. “EFFECTS OF ELECTROLYTE ON THE CATHODE PERFORMANCE OF MICROBIAL FUEL CELLS AND MICROBIAL ELECTROLYSIS CELLS.” 2010. Web. 08 Aug 2020.

Vancouver:

Shahidi Pour Savizi I. EFFECTS OF ELECTROLYTE ON THE CATHODE PERFORMANCE OF MICROBIAL FUEL CELLS AND MICROBIAL ELECTROLYSIS CELLS. [Internet] [Masters thesis]. Penn State University; 2010. [cited 2020 Aug 08]. Available from: https://etda.libraries.psu.edu/catalog/9158.

Council of Science Editors:

Shahidi Pour Savizi I. EFFECTS OF ELECTROLYTE ON THE CATHODE PERFORMANCE OF MICROBIAL FUEL CELLS AND MICROBIAL ELECTROLYSIS CELLS. [Masters Thesis]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/9158


University of California – Berkeley

24. Uejio, Janel Sunayo. X-ray Absorption Spectroscopy of Biologically Relevant Systems.

Degree: Chemistry, 2010, University of California – Berkeley

 The relationship of biologically relevant molecules to their aqueous environment remains an active area of current research. In this dissertation, I present research biologically relevant… (more)

Subjects/Keywords: Chemistry, Physical; DFT; NEXAFS; XAS

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APA (6th Edition):

Uejio, J. S. (2010). X-ray Absorption Spectroscopy of Biologically Relevant Systems. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/20q0g5pz

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):

Uejio, Janel Sunayo. “X-ray Absorption Spectroscopy of Biologically Relevant Systems.” 2010. Thesis, University of California – Berkeley. Accessed August 08, 2020. http://www.escholarship.org/uc/item/20q0g5pz.

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

MLA Handbook (7th Edition):

Uejio, Janel Sunayo. “X-ray Absorption Spectroscopy of Biologically Relevant Systems.” 2010. Web. 08 Aug 2020.

Vancouver:

Uejio JS. X-ray Absorption Spectroscopy of Biologically Relevant Systems. [Internet] [Thesis]. University of California – Berkeley; 2010. [cited 2020 Aug 08]. Available from: http://www.escholarship.org/uc/item/20q0g5pz.

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

Council of Science Editors:

Uejio JS. X-ray Absorption Spectroscopy of Biologically Relevant Systems. [Thesis]. University of California – Berkeley; 2010. Available from: http://www.escholarship.org/uc/item/20q0g5pz

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


The Ohio State University

25. Pan, Li. First-Principles Studies of the Reactivity of Transition Metal Oxide Surfaces.

Degree: PhD, Chemical Engineering, 2015, The Ohio State University

 Transition metals such as platinum and palladium are important oxidation catalysts used in processes such as exhaust-gas treatment (e.g. catalytic converters) and power generation (e.g.… (more)

Subjects/Keywords: Chemical Engineering; DFT; PdO; Oxidation

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APA (6th Edition):

Pan, L. (2015). First-Principles Studies of the Reactivity of Transition Metal Oxide Surfaces. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1448910602

Chicago Manual of Style (16th Edition):

Pan, Li. “First-Principles Studies of the Reactivity of Transition Metal Oxide Surfaces.” 2015. Doctoral Dissertation, The Ohio State University. Accessed August 08, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=osu1448910602.

MLA Handbook (7th Edition):

Pan, Li. “First-Principles Studies of the Reactivity of Transition Metal Oxide Surfaces.” 2015. Web. 08 Aug 2020.

Vancouver:

Pan L. First-Principles Studies of the Reactivity of Transition Metal Oxide Surfaces. [Internet] [Doctoral dissertation]. The Ohio State University; 2015. [cited 2020 Aug 08]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1448910602.

Council of Science Editors:

Pan L. First-Principles Studies of the Reactivity of Transition Metal Oxide Surfaces. [Doctoral Dissertation]. The Ohio State University; 2015. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1448910602


Texas A&M University

26. Kumar, Rajeev. An Efficient Arithmetic Sum-of-Product (SOP) based Multiplication Approach for FIR Filters and DFT.

Degree: 2013, Texas A&M University

 Discrete Fourier Transform (DFT) and Finite Impulse Response (FIR) filters are extensively used in Digital Signal Processing (DSP) and Image Processing. As a result, there… (more)

Subjects/Keywords: SOP; DFT; FIR; MCM

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APA (6th Edition):

Kumar, R. (2013). An Efficient Arithmetic Sum-of-Product (SOP) based Multiplication Approach for FIR Filters and DFT. (Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/149498

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):

Kumar, Rajeev. “An Efficient Arithmetic Sum-of-Product (SOP) based Multiplication Approach for FIR Filters and DFT.” 2013. Thesis, Texas A&M University. Accessed August 08, 2020. http://hdl.handle.net/1969.1/149498.

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

MLA Handbook (7th Edition):

Kumar, Rajeev. “An Efficient Arithmetic Sum-of-Product (SOP) based Multiplication Approach for FIR Filters and DFT.” 2013. Web. 08 Aug 2020.

Vancouver:

Kumar R. An Efficient Arithmetic Sum-of-Product (SOP) based Multiplication Approach for FIR Filters and DFT. [Internet] [Thesis]. Texas A&M University; 2013. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/1969.1/149498.

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

Council of Science Editors:

Kumar R. An Efficient Arithmetic Sum-of-Product (SOP) based Multiplication Approach for FIR Filters and DFT. [Thesis]. Texas A&M University; 2013. Available from: http://hdl.handle.net/1969.1/149498

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


University of Louisville

27. Kornobis, Karina. Theoretical investigations of photophysics and spectroscopic properties in B12 cofactors.

Degree: PhD, 2013, University of Louisville

  Enzymes incorporating B12 cofactors (cobalamins) are significant biological components as they are involved in the metabolism of every cell of the body. The absorbing… (more)

Subjects/Keywords: Vitamin B12; Spectroscopy; DFT

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APA (6th Edition):

Kornobis, K. (2013). Theoretical investigations of photophysics and spectroscopic properties in B12 cofactors. (Doctoral Dissertation). University of Louisville. Retrieved from 10.18297/etd/772 ; https://ir.library.louisville.edu/etd/772

Chicago Manual of Style (16th Edition):

Kornobis, Karina. “Theoretical investigations of photophysics and spectroscopic properties in B12 cofactors.” 2013. Doctoral Dissertation, University of Louisville. Accessed August 08, 2020. 10.18297/etd/772 ; https://ir.library.louisville.edu/etd/772.

MLA Handbook (7th Edition):

Kornobis, Karina. “Theoretical investigations of photophysics and spectroscopic properties in B12 cofactors.” 2013. Web. 08 Aug 2020.

Vancouver:

Kornobis K. Theoretical investigations of photophysics and spectroscopic properties in B12 cofactors. [Internet] [Doctoral dissertation]. University of Louisville; 2013. [cited 2020 Aug 08]. Available from: 10.18297/etd/772 ; https://ir.library.louisville.edu/etd/772.

Council of Science Editors:

Kornobis K. Theoretical investigations of photophysics and spectroscopic properties in B12 cofactors. [Doctoral Dissertation]. University of Louisville; 2013. Available from: 10.18297/etd/772 ; https://ir.library.louisville.edu/etd/772


University of Rochester

28. Fillman, Kathlyn L. Theoretical and spectroscopic studies of mid-first row transition metal complexes.

Degree: PhD, 2016, University of Rochester

 In the body of this work, three distinct yet somewhat overlapping topics in chemistry have been presented; namely, electronic structure studies of iron-NHC (N-heterocyclic carbene)… (more)

Subjects/Keywords: DFT; Iron; NHC; Pincers; Spectroscopy

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APA (6th Edition):

Fillman, K. L. (2016). Theoretical and spectroscopic studies of mid-first row transition metal complexes. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/31299

Chicago Manual of Style (16th Edition):

Fillman, Kathlyn L. “Theoretical and spectroscopic studies of mid-first row transition metal complexes.” 2016. Doctoral Dissertation, University of Rochester. Accessed August 08, 2020. http://hdl.handle.net/1802/31299.

MLA Handbook (7th Edition):

Fillman, Kathlyn L. “Theoretical and spectroscopic studies of mid-first row transition metal complexes.” 2016. Web. 08 Aug 2020.

Vancouver:

Fillman KL. Theoretical and spectroscopic studies of mid-first row transition metal complexes. [Internet] [Doctoral dissertation]. University of Rochester; 2016. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/1802/31299.

Council of Science Editors:

Fillman KL. Theoretical and spectroscopic studies of mid-first row transition metal complexes. [Doctoral Dissertation]. University of Rochester; 2016. Available from: http://hdl.handle.net/1802/31299

29. Gkarmpounis, Dimitrios. Μελέτη της δομής και της φυσικοχημικής συμπεριφοράς μέταλλο-υποκατεστημένων αρενίων με μέταλλα της 11ης ομάδας.

Degree: 2017, University of Ioannina; Πανεπιστήμιο Ιωαννίνων

A series of coinage metalated benzenes formulated as C6H6-nMn (M = Cu, Ag, Au, n = 1 - 6) are investigated by means of DFT(more)

Subjects/Keywords: Mεταλλο-υποκατεστημένα αρένια; Αρωματικότητα; Υπολογισμοί DFT; Υπολογισμοί TD-DFT; Coinage metallated benzenes; Aromaticity; DFT calculations; TD-DFT calculations

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APA (6th Edition):

Gkarmpounis, D. (2017). Μελέτη της δομής και της φυσικοχημικής συμπεριφοράς μέταλλο-υποκατεστημένων αρενίων με μέταλλα της 11ης ομάδας. (Thesis). University of Ioannina; Πανεπιστήμιο Ιωαννίνων. Retrieved from http://hdl.handle.net/10442/hedi/40965

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):

Gkarmpounis, Dimitrios. “Μελέτη της δομής και της φυσικοχημικής συμπεριφοράς μέταλλο-υποκατεστημένων αρενίων με μέταλλα της 11ης ομάδας.” 2017. Thesis, University of Ioannina; Πανεπιστήμιο Ιωαννίνων. Accessed August 08, 2020. http://hdl.handle.net/10442/hedi/40965.

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

MLA Handbook (7th Edition):

Gkarmpounis, Dimitrios. “Μελέτη της δομής και της φυσικοχημικής συμπεριφοράς μέταλλο-υποκατεστημένων αρενίων με μέταλλα της 11ης ομάδας.” 2017. Web. 08 Aug 2020.

Vancouver:

Gkarmpounis D. Μελέτη της δομής και της φυσικοχημικής συμπεριφοράς μέταλλο-υποκατεστημένων αρενίων με μέταλλα της 11ης ομάδας. [Internet] [Thesis]. University of Ioannina; Πανεπιστήμιο Ιωαννίνων; 2017. [cited 2020 Aug 08]. Available from: http://hdl.handle.net/10442/hedi/40965.

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

Council of Science Editors:

Gkarmpounis D. Μελέτη της δομής και της φυσικοχημικής συμπεριφοράς μέταλλο-υποκατεστημένων αρενίων με μέταλλα της 11ης ομάδας. [Thesis]. University of Ioannina; Πανεπιστήμιο Ιωαννίνων; 2017. Available from: http://hdl.handle.net/10442/hedi/40965

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


The Ohio State University

30. Karalti, Ozan. Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study.

Degree: MS, Chemistry, 2008, The Ohio State University

 The focus of this thesis is to improve our understanding of radical reactions which are important to combustion, atmospheric and biological chemistry. To achieve this… (more)

Subjects/Keywords: Chemistry; hydroperoxyl radical; benzene; dft

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APA (6th Edition):

Karalti, O. (2008). Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study. (Masters Thesis). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1204653142

Chicago Manual of Style (16th Edition):

Karalti, Ozan. “Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study.” 2008. Masters Thesis, The Ohio State University. Accessed August 08, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=osu1204653142.

MLA Handbook (7th Edition):

Karalti, Ozan. “Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study.” 2008. Web. 08 Aug 2020.

Vancouver:

Karalti O. Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study. [Internet] [Masters thesis]. The Ohio State University; 2008. [cited 2020 Aug 08]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1204653142.

Council of Science Editors:

Karalti O. Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study. [Masters Thesis]. The Ohio State University; 2008. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1204653142

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