Advanced search options

Advanced Search Options 🞨

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

Find ETDs with:

in
/  
in
/  
in
/  
in

Written in Published in Earliest date Latest date

Sorted by

Results per page:

Sorted by: relevance · author · university · dateNew search

You searched for subject:(DFT). Showing records 1 – 30 of 1159 total matches.

[1] [2] [3] [4] [5] … [39]

Search Limiters

Last 2 Years | English Only

Degrees

Levels

Languages

Country

▼ Search Limiters

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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. https://repository.library.brown.edu/studio/item/bdr:11226/.

MLA Handbook (7th Edition):

Horowitz, Steven E. “Strong Correlations in Aqueous Actinide Complexes.” 2011. Web. 19 Apr 2019.

Vancouver:

Horowitz SE. Strong Correlations in Aqueous Actinide Complexes. [Internet] [Doctoral dissertation]. Brown University; 2011. [cited 2019 Apr 19]. 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/


University of Florida

2. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Jin, Y. (2017). Ionization Potential Improved Consistent Density Functional Theory. (Doctoral Dissertation). University of Florida. Retrieved from http://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 April 19, 2019. http://ufdc.ufl.edu/UFE0050944.

MLA Handbook (7th Edition):

Jin, Yifan. “Ionization Potential Improved Consistent Density Functional Theory.” 2017. Web. 19 Apr 2019.

Vancouver:

Jin Y. Ionization Potential Improved Consistent Density Functional Theory. [Internet] [Doctoral dissertation]. University of Florida; 2017. [cited 2019 Apr 19]. Available from: http://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: http://ufdc.ufl.edu/UFE0050944

3. Fomin Nkengafeh, A. 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]… 

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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. “Experimental analysis of design-for-testability techniques in SRAMs:.” 2008. Masters Thesis, Delft University of Technology. Accessed April 19, 2019. http://resolver.tudelft.nl/uuid:6b44e9c9-bb91-4e3c-94b8-d4ba8cd9408e.

MLA Handbook (7th Edition):

Fomin Nkengafeh, A. “Experimental analysis of design-for-testability techniques in SRAMs:.” 2008. Web. 19 Apr 2019.

Vancouver:

Fomin Nkengafeh A. Experimental analysis of design-for-testability techniques in SRAMs:. [Internet] [Masters thesis]. Delft University of Technology; 2008. [cited 2019 Apr 19]. 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


Mississippi State University

4. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

Vancouver:

Kim S. First-Principles Study of Semiconductor and Metal Surfaces. [Internet] [Doctoral dissertation]. Mississippi State University; 2005. [cited 2019 Apr 19]. 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/ ;

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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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

6. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

Vancouver:

Riera Junior AT. Defeitos em nanofitas de Grafeno zigzag. [Internet] [Masters thesis]. University of São Paulo; 2008. [cited 2019 Apr 19]. 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/ ;

7. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. http://www.theses.fr/2018NANT4021.

MLA Handbook (7th Edition):

Azarias, Cloé. “Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines.” 2018. Web. 19 Apr 2019.

Vancouver:

Azarias C. Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines. [Internet] [Doctoral dissertation]. Nantes; 2018. [cited 2019 Apr 19]. 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

8. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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


University of California – San Diego

9. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

Vancouver:

Song D. Structure, chemical dynamics and electron localization in the mineral and surface interface. [Internet] [Thesis]. University of California – San Diego; 2019. [cited 2019 Apr 19]. 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

10. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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


Victoria University of Wellington

11. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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 Debrecen

12. Sustyák, Gábor. Az 1,4-benzokinon hidroxikinonná történő átalakulásának mechanizmus-vizsgálata kvantumkémiai módszerekkel .

Degree: DE – TEK – Természettudományi és Technológiai Kar – Kémiai Intézet, 2013, University of Debrecen

Az 1,4-benzokinon hidroxikinonná történő alakulásának mechanizmus vizsgálata. Gyökös és peroxidos úton kvantumkémiai számítások felhasználásával. Advisors/Committee Members: Purgel, Mihály (advisor).

Subjects/Keywords: kvantumkémia; DFT módszer

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Sustyák, G. (2013). Az 1,4-benzokinon hidroxikinonná történő átalakulásának mechanizmus-vizsgálata kvantumkémiai módszerekkel . (Thesis). University of Debrecen. Retrieved from http://hdl.handle.net/2437/177387

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):

Sustyák, Gábor. “Az 1,4-benzokinon hidroxikinonná történő átalakulásának mechanizmus-vizsgálata kvantumkémiai módszerekkel .” 2013. Thesis, University of Debrecen. Accessed April 19, 2019. http://hdl.handle.net/2437/177387.

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

MLA Handbook (7th Edition):

Sustyák, Gábor. “Az 1,4-benzokinon hidroxikinonná történő átalakulásának mechanizmus-vizsgálata kvantumkémiai módszerekkel .” 2013. Web. 19 Apr 2019.

Vancouver:

Sustyák G. Az 1,4-benzokinon hidroxikinonná történő átalakulásának mechanizmus-vizsgálata kvantumkémiai módszerekkel . [Internet] [Thesis]. University of Debrecen; 2013. [cited 2019 Apr 19]. Available from: http://hdl.handle.net/2437/177387.

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

Council of Science Editors:

Sustyák G. Az 1,4-benzokinon hidroxikinonná történő átalakulásának mechanizmus-vizsgálata kvantumkémiai módszerekkel . [Thesis]. University of Debrecen; 2013. Available from: http://hdl.handle.net/2437/177387

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

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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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


Universitat Rovira i Virgili

15. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

Vancouver:

Abella Guzman L. Computations on Fullerenes: Characterization, Reactivity and Growth. [Internet] [Thesis]. Universitat Rovira i Virgili; 2017. [cited 2019 Apr 19]. 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

16. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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

17. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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 April 19, 2019. http://purl.umn.edu/160259.

MLA Handbook (7th Edition):

Purchel, Anatolii. “Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins.” 2013. Web. 19 Apr 2019.

Vancouver:

Purchel A. Synthesis and characterization of ferrocenyl-containing porphyrins and tetraazaporphyrins. [Internet] [Masters thesis]. University of Minnesota; 2013. [cited 2019 Apr 19]. 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

18. Kovalenko Alexander. The study of new nanostructural composites .

Degree: 2012, Czech University of Technology

Luminescent diamond defects for bio and quantum application; Luminescent diamond defects for bio and quantum application Advisors/Committee Members: Kratochvílová Irena (advisor).

Subjects/Keywords: diamond; nanodiamond; luminescence; defects; DFT

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Alexander, K. (2012). The study of new nanostructural composites . (Thesis). Czech University of Technology. Retrieved from http://hdl.handle.net/10467/12741

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):

Alexander, Kovalenko. “The study of new nanostructural composites .” 2012. Thesis, Czech University of Technology. Accessed April 19, 2019. http://hdl.handle.net/10467/12741.

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

MLA Handbook (7th Edition):

Alexander, Kovalenko. “The study of new nanostructural composites .” 2012. Web. 19 Apr 2019.

Vancouver:

Alexander K. The study of new nanostructural composites . [Internet] [Thesis]. Czech University of Technology; 2012. [cited 2019 Apr 19]. Available from: http://hdl.handle.net/10467/12741.

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

Council of Science Editors:

Alexander K. The study of new nanostructural composites . [Thesis]. Czech University of Technology; 2012. Available from: http://hdl.handle.net/10467/12741

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

19. Chiacchio, Ferdinando. Sviluppo di modelli dinamici e misure di importanza per l'analisi affidabilistica di sistemi complessi.

Degree: 2011, Università degli Studi di Catania

In questo lavoro di tesi vengono applicate le moderne teorie dell'affidabilita' per la risoluzione di alberi di guasto dinamici (DFT), relativi a scenari incidentali di… (more)

Subjects/Keywords: PRA; DFT; Gerarchizzazione; Markov; Birnbaum

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Chiacchio, F. (2011). Sviluppo di modelli dinamici e misure di importanza per l'analisi affidabilistica di sistemi complessi. (Thesis). Università degli Studi di Catania. Retrieved from http://hdl.handle.net/10761/117

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):

Chiacchio, Ferdinando. “Sviluppo di modelli dinamici e misure di importanza per l'analisi affidabilistica di sistemi complessi.” 2011. Thesis, Università degli Studi di Catania. Accessed April 19, 2019. http://hdl.handle.net/10761/117.

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

MLA Handbook (7th Edition):

Chiacchio, Ferdinando. “Sviluppo di modelli dinamici e misure di importanza per l'analisi affidabilistica di sistemi complessi.” 2011. Web. 19 Apr 2019.

Vancouver:

Chiacchio F. Sviluppo di modelli dinamici e misure di importanza per l'analisi affidabilistica di sistemi complessi. [Internet] [Thesis]. Università degli Studi di Catania; 2011. [cited 2019 Apr 19]. Available from: http://hdl.handle.net/10761/117.

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

Council of Science Editors:

Chiacchio F. Sviluppo di modelli dinamici e misure di importanza per l'analisi affidabilistica di sistemi complessi. [Thesis]. Università degli Studi di Catania; 2011. Available from: http://hdl.handle.net/10761/117

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


The Ohio State University

20. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

Vancouver:

Pan L. First-Principles Studies of the Reactivity of Transition Metal Oxide Surfaces. [Internet] [Doctoral dissertation]. The Ohio State University; 2015. [cited 2019 Apr 19]. 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

21. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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

22. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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

23. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

Vancouver:

Karalti O. Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study. [Internet] [Masters thesis]. The Ohio State University; 2008. [cited 2019 Apr 19]. 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


NSYSU

24. Mo, Hao-Jie. Computational analysis of first hyperpolarizability of heterocyclic rigid-rod molecules.

Degree: Master, Materials Science and Engineering, 2008, NSYSU

 The first hyperpolarizability β, which is an important factor in the second-order nonlinear optical effect, of the 5-6-5 heterocyclic rigid-rod chromophores-based derivatives has been systematically… (more)

Subjects/Keywords: nonlinear optics; first hyperpolarizability; DFT

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Mo, H. (2008). Computational analysis of first hyperpolarizability of heterocyclic rigid-rod molecules. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0110108-093918

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):

Mo, Hao-Jie. “Computational analysis of first hyperpolarizability of heterocyclic rigid-rod molecules.” 2008. Thesis, NSYSU. Accessed April 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0110108-093918.

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

MLA Handbook (7th Edition):

Mo, Hao-Jie. “Computational analysis of first hyperpolarizability of heterocyclic rigid-rod molecules.” 2008. Web. 19 Apr 2019.

Vancouver:

Mo H. Computational analysis of first hyperpolarizability of heterocyclic rigid-rod molecules. [Internet] [Thesis]. NSYSU; 2008. [cited 2019 Apr 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0110108-093918.

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

Council of Science Editors:

Mo H. Computational analysis of first hyperpolarizability of heterocyclic rigid-rod molecules. [Thesis]. NSYSU; 2008. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0110108-093918

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


Victoria University of Wellington

25. Mackay, Jade River. A Computational Study of Aspects of ZnO Nanorod Film Electro-Crystallisation.

Degree: 2009, Victoria University of Wellington

 A new generation of material technologies is being produced by tuning the properties of an existing material through control of the size and shape on… (more)

Subjects/Keywords: DFT; Metal oxides; Crystal growth

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Mackay, J. R. (2009). A Computational Study of Aspects of ZnO Nanorod Film Electro-Crystallisation. (Doctoral Dissertation). Victoria University of Wellington. Retrieved from http://hdl.handle.net/10063/1107

Chicago Manual of Style (16th Edition):

Mackay, Jade River. “A Computational Study of Aspects of ZnO Nanorod Film Electro-Crystallisation.” 2009. Doctoral Dissertation, Victoria University of Wellington. Accessed April 19, 2019. http://hdl.handle.net/10063/1107.

MLA Handbook (7th Edition):

Mackay, Jade River. “A Computational Study of Aspects of ZnO Nanorod Film Electro-Crystallisation.” 2009. Web. 19 Apr 2019.

Vancouver:

Mackay JR. A Computational Study of Aspects of ZnO Nanorod Film Electro-Crystallisation. [Internet] [Doctoral dissertation]. Victoria University of Wellington; 2009. [cited 2019 Apr 19]. Available from: http://hdl.handle.net/10063/1107.

Council of Science Editors:

Mackay JR. A Computational Study of Aspects of ZnO Nanorod Film Electro-Crystallisation. [Doctoral Dissertation]. Victoria University of Wellington; 2009. Available from: http://hdl.handle.net/10063/1107


University of Louisville

26. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

Vancouver:

Kornobis K. Theoretical investigations of photophysics and spectroscopic properties in B12 cofactors. [Internet] [Doctoral dissertation]. University of Louisville; 2013. [cited 2019 Apr 19]. 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


Penn State University

27. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. https://etda.libraries.psu.edu/catalog/14962.

MLA Handbook (7th Edition):

Chia, Cheng Ing. “Geometrically constrained nanoscale materials.” 2012. Web. 19 Apr 2019.

Vancouver:

Chia CI. Geometrically constrained nanoscale materials. [Internet] [Doctoral dissertation]. Penn State University; 2012. [cited 2019 Apr 19]. 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

28. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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

29. 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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

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 April 19, 2019. 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. 19 Apr 2019.

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 2019 Apr 19]. 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 Illinois – Chicago

30. Zhang, Qiang. A DFT Study of Neopentane Hydrogenolysis and Isomerization on Pd(111) and Pt(111).

Degree: 2015, University of Illinois – Chicago

 Using Density Functional Calculations, we researched on hydrogenolysis and isomerization of neopentane on Pd(111) and Pt(111). In general, lower activation energy is expected for Pt(111)… (more)

Subjects/Keywords: DFT; Hydrogenolysis; Isomerization; neopentane

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Zhang, Q. (2015). A DFT Study of Neopentane Hydrogenolysis and Isomerization on Pd(111) and Pt(111). (Thesis). University of Illinois – Chicago. Retrieved from http://hdl.handle.net/10027/19583

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):

Zhang, Qiang. “A DFT Study of Neopentane Hydrogenolysis and Isomerization on Pd(111) and Pt(111).” 2015. Thesis, University of Illinois – Chicago. Accessed April 19, 2019. http://hdl.handle.net/10027/19583.

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

MLA Handbook (7th Edition):

Zhang, Qiang. “A DFT Study of Neopentane Hydrogenolysis and Isomerization on Pd(111) and Pt(111).” 2015. Web. 19 Apr 2019.

Vancouver:

Zhang Q. A DFT Study of Neopentane Hydrogenolysis and Isomerization on Pd(111) and Pt(111). [Internet] [Thesis]. University of Illinois – Chicago; 2015. [cited 2019 Apr 19]. Available from: http://hdl.handle.net/10027/19583.

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

Council of Science Editors:

Zhang Q. A DFT Study of Neopentane Hydrogenolysis and Isomerization on Pd(111) and Pt(111). [Thesis]. University of Illinois – Chicago; 2015. Available from: http://hdl.handle.net/10027/19583

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

[1] [2] [3] [4] [5] … [39]

.