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:(Ab initio). Showing records 1 – 30 of 697 total matches.

[1] [2] [3] [4] [5] … [24]

Search Limiters

Last 2 Years | English Only

Department

Degrees

Levels

Languages

Country

▼ Search Limiters


Cornell University

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

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

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

Subjects/Keywords: ab initio electronic structure; solvation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Schwarz, Kathleen. “Partitioning Molecular And Surface Environments: Practice And Approximations.” 2014. Doctoral Dissertation, Cornell University. Accessed April 21, 2021. http://hdl.handle.net/1813/37083.

MLA Handbook (7th Edition):

Schwarz, Kathleen. “Partitioning Molecular And Surface Environments: Practice And Approximations.” 2014. Web. 21 Apr 2021.

Vancouver:

Schwarz K. Partitioning Molecular And Surface Environments: Practice And Approximations. [Internet] [Doctoral dissertation]. Cornell University; 2014. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/1813/37083.

Council of Science Editors:

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


Universidade de Brasília

2. Elton Anderson Santos de Castro. Estudo teórico da adsorção em aluminossilicatos.

Degree: 2007, Universidade de Brasília

 Foram realizados cálculos de mecânica molecular, semi-empíricos e ab initio para o estudo de sistemas baseados em caulinita. As posições e freqüências dos hidrogênios foram… (more)

Subjects/Keywords: caulinita; adsorção; ab initio; QUIMICA

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Castro, E. A. S. d. (2007). Estudo teórico da adsorção em aluminossilicatos. (Thesis). Universidade de Brasília. Retrieved from http://bdtd.bce.unb.br/tedesimplificado/tde_busca/arquivo.php?codArquivo=2713

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):

Castro, Elton Anderson Santos de. “Estudo teórico da adsorção em aluminossilicatos.” 2007. Thesis, Universidade de Brasília. Accessed April 21, 2021. http://bdtd.bce.unb.br/tedesimplificado/tde_busca/arquivo.php?codArquivo=2713.

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

MLA Handbook (7th Edition):

Castro, Elton Anderson Santos de. “Estudo teórico da adsorção em aluminossilicatos.” 2007. Web. 21 Apr 2021.

Vancouver:

Castro EASd. Estudo teórico da adsorção em aluminossilicatos. [Internet] [Thesis]. Universidade de Brasília; 2007. [cited 2021 Apr 21]. Available from: http://bdtd.bce.unb.br/tedesimplificado/tde_busca/arquivo.php?codArquivo=2713.

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

Council of Science Editors:

Castro EASd. Estudo teórico da adsorção em aluminossilicatos. [Thesis]. Universidade de Brasília; 2007. Available from: http://bdtd.bce.unb.br/tedesimplificado/tde_busca/arquivo.php?codArquivo=2713

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


King Abdullah University of Science and Technology

3. Albar, Arwa. Defect Engineering and Interface Phenomena in Tin Oxide.

Degree: Physical Science and Engineering (PSE) Division, 2017, King Abdullah University of Science and Technology

 The advance in transparent electronics requires high-performance transparent conducting oxide materials. The microscopic properties of these materials are sensitive to the presence of defects and… (more)

Subjects/Keywords: Ab-initio; Oxides; Defects; Interfaces

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Albar, A. (2017). Defect Engineering and Interface Phenomena in Tin Oxide. (Thesis). King Abdullah University of Science and Technology. Retrieved from http://hdl.handle.net/10754/623128

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):

Albar, Arwa. “Defect Engineering and Interface Phenomena in Tin Oxide.” 2017. Thesis, King Abdullah University of Science and Technology. Accessed April 21, 2021. http://hdl.handle.net/10754/623128.

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

MLA Handbook (7th Edition):

Albar, Arwa. “Defect Engineering and Interface Phenomena in Tin Oxide.” 2017. Web. 21 Apr 2021.

Vancouver:

Albar A. Defect Engineering and Interface Phenomena in Tin Oxide. [Internet] [Thesis]. King Abdullah University of Science and Technology; 2017. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/10754/623128.

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

Council of Science Editors:

Albar A. Defect Engineering and Interface Phenomena in Tin Oxide. [Thesis]. King Abdullah University of Science and Technology; 2017. Available from: http://hdl.handle.net/10754/623128

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


Universidade do Rio Grande do Norte

4. Medeiros, Subênia Karine de. Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3 .

Degree: 2007, Universidade do Rio Grande do Norte

 The physical properties and the excitations spectrum in oxides and semiconductors materials are presented in this work, whose the first part presents a study on… (more)

Subjects/Keywords: Heteroestruturas; Hidretos; Ab initio; Nanoescalas; Heterostructures; Hydrides; Ab initio; Nanoscales

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Medeiros, S. K. d. (2007). Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3 . (Thesis). Universidade do Rio Grande do Norte. Retrieved from http://repositorio.ufrn.br/handle/123456789/16649

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):

Medeiros, Subênia Karine de. “Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3 .” 2007. Thesis, Universidade do Rio Grande do Norte. Accessed April 21, 2021. http://repositorio.ufrn.br/handle/123456789/16649.

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

MLA Handbook (7th Edition):

Medeiros, Subênia Karine de. “Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3 .” 2007. Web. 21 Apr 2021.

Vancouver:

Medeiros SKd. Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3 . [Internet] [Thesis]. Universidade do Rio Grande do Norte; 2007. [cited 2021 Apr 21]. Available from: http://repositorio.ufrn.br/handle/123456789/16649.

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

Council of Science Editors:

Medeiros SKd. Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3 . [Thesis]. Universidade do Rio Grande do Norte; 2007. Available from: http://repositorio.ufrn.br/handle/123456789/16649

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

5. Subênia Karine de Medeiros. Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3.

Degree: 2007, Universidade Federal do Rio Grande do Norte

The physical properties and the excitations spectrum in oxides and semiconductors materials are presented in this work, whose the first part presents a study on… (more)

Subjects/Keywords: Ab initio; Heteroestruturas; Hidretos; Nanoescalas; FISICA; Heterostructures; Hydrides; Ab initio; Nanoscales

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Medeiros, S. K. d. (2007). Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3. (Thesis). Universidade Federal do Rio Grande do Norte. Retrieved from http://bdtd.bczm.ufrn.br/tedesimplificado//tde_busca/arquivo.php?codArquivo=1189

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):

Medeiros, Subênia Karine de. “Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3.” 2007. Thesis, Universidade Federal do Rio Grande do Norte. Accessed April 21, 2021. http://bdtd.bczm.ufrn.br/tedesimplificado//tde_busca/arquivo.php?codArquivo=1189.

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

MLA Handbook (7th Edition):

Medeiros, Subênia Karine de. “Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3.” 2007. Web. 21 Apr 2021.

Vancouver:

Medeiros SKd. Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3. [Internet] [Thesis]. Universidade Federal do Rio Grande do Norte; 2007. [cited 2021 Apr 21]. Available from: http://bdtd.bczm.ufrn.br/tedesimplificado//tde_busca/arquivo.php?codArquivo=1189.

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

Council of Science Editors:

Medeiros SKd. Sistemas Nanoestruturados: Heteroestruturas Quasi-Periódicas de Nitretos e Cálculos Ab initio em Polimorfos CaCO3. [Thesis]. Universidade Federal do Rio Grande do Norte; 2007. Available from: http://bdtd.bczm.ufrn.br/tedesimplificado//tde_busca/arquivo.php?codArquivo=1189

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

6. Florence Pereira Novais Antunes. Estudo ab initio da adsorção de organofosforados em TiO2 e Ti(1-x)ZrxO2.

Degree: 2010, Universidade Federal de Juiz de Fora

O estudo da degradação de organofosforados é de suma importância tanto na área ambiental quanto na de defesa química. Tem sido descrito na literatura exaustivos… (more)

Subjects/Keywords: adsorção; FISICO-QUIMICA; ab initio; organofosforados; adsorption; ab initio; organophosphorous

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Antunes, F. P. N. (2010). Estudo ab initio da adsorção de organofosforados em TiO2 e Ti(1-x)ZrxO2. (Thesis). Universidade Federal de Juiz de Fora. Retrieved from http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=739

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):

Antunes, Florence Pereira Novais. “Estudo ab initio da adsorção de organofosforados em TiO2 e Ti(1-x)ZrxO2.” 2010. Thesis, Universidade Federal de Juiz de Fora. Accessed April 21, 2021. http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=739.

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

MLA Handbook (7th Edition):

Antunes, Florence Pereira Novais. “Estudo ab initio da adsorção de organofosforados em TiO2 e Ti(1-x)ZrxO2.” 2010. Web. 21 Apr 2021.

Vancouver:

Antunes FPN. Estudo ab initio da adsorção de organofosforados em TiO2 e Ti(1-x)ZrxO2. [Internet] [Thesis]. Universidade Federal de Juiz de Fora; 2010. [cited 2021 Apr 21]. Available from: http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=739.

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

Council of Science Editors:

Antunes FPN. Estudo ab initio da adsorção de organofosforados em TiO2 e Ti(1-x)ZrxO2. [Thesis]. Universidade Federal de Juiz de Fora; 2010. Available from: http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=739

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


Universidade Federal do Maranhão

7. ANDRÉ HADAD CORTEZ. PROPRIEDADES ELETRÔNICAS DE NANOFIOS DE SI-GE COM SEQUENCIAMENTO DE FIBONACCI E RANDÔMICO.

Degree: 2012, Universidade Federal do Maranhão

In this work we address a theoretical calculation of the electronic spectra in Si-Ge atomic chain that is arranged in a Fibonacci quasi-periodic sequence, by… (more)

Subjects/Keywords: Nanofios; Finonacci; Fractalidade; Ab initio; FISICA; Nanowires; Ab initio; Fibonacci; Fractality

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

CORTEZ, A. H. (2012). PROPRIEDADES ELETRÔNICAS DE NANOFIOS DE SI-GE COM SEQUENCIAMENTO DE FIBONACCI E RANDÔMICO. (Thesis). Universidade Federal do Maranhão. Retrieved from http://www.tedebc.ufma.br//tde_busca/arquivo.php?codArquivo=891

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):

CORTEZ, ANDRÉ HADAD. “PROPRIEDADES ELETRÔNICAS DE NANOFIOS DE SI-GE COM SEQUENCIAMENTO DE FIBONACCI E RANDÔMICO.” 2012. Thesis, Universidade Federal do Maranhão. Accessed April 21, 2021. http://www.tedebc.ufma.br//tde_busca/arquivo.php?codArquivo=891.

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

MLA Handbook (7th Edition):

CORTEZ, ANDRÉ HADAD. “PROPRIEDADES ELETRÔNICAS DE NANOFIOS DE SI-GE COM SEQUENCIAMENTO DE FIBONACCI E RANDÔMICO.” 2012. Web. 21 Apr 2021.

Vancouver:

CORTEZ AH. PROPRIEDADES ELETRÔNICAS DE NANOFIOS DE SI-GE COM SEQUENCIAMENTO DE FIBONACCI E RANDÔMICO. [Internet] [Thesis]. Universidade Federal do Maranhão; 2012. [cited 2021 Apr 21]. Available from: http://www.tedebc.ufma.br//tde_busca/arquivo.php?codArquivo=891.

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

Council of Science Editors:

CORTEZ AH. PROPRIEDADES ELETRÔNICAS DE NANOFIOS DE SI-GE COM SEQUENCIAMENTO DE FIBONACCI E RANDÔMICO. [Thesis]. Universidade Federal do Maranhão; 2012. Available from: http://www.tedebc.ufma.br//tde_busca/arquivo.php?codArquivo=891

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

8. Khalil, Hossain. Highly accurate studies of the rovibronic states of small size radicals : Etudes très précises des états rovibroniques des radicaux de petites tailles.

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

Des calculs ab initio basés sur des méthodes hautement corrélées ont été utilisés pour étudier la structure rovibronique et la spectroscopie des radicaux de 2… (more)

Subjects/Keywords: Ab initio; Spectroscopie; Rovibronique; Ab initio; Spectroscopy; Rovibronic

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Khalil, H. (2012). Highly accurate studies of the rovibronic states of small size radicals : Etudes très précises des états rovibroniques des radicaux de petites tailles. (Doctoral Dissertation). Université Paris-Est. Retrieved from http://www.theses.fr/2012PEST1028

Chicago Manual of Style (16th Edition):

Khalil, Hossain. “Highly accurate studies of the rovibronic states of small size radicals : Etudes très précises des états rovibroniques des radicaux de petites tailles.” 2012. Doctoral Dissertation, Université Paris-Est. Accessed April 21, 2021. http://www.theses.fr/2012PEST1028.

MLA Handbook (7th Edition):

Khalil, Hossain. “Highly accurate studies of the rovibronic states of small size radicals : Etudes très précises des états rovibroniques des radicaux de petites tailles.” 2012. Web. 21 Apr 2021.

Vancouver:

Khalil H. Highly accurate studies of the rovibronic states of small size radicals : Etudes très précises des états rovibroniques des radicaux de petites tailles. [Internet] [Doctoral dissertation]. Université Paris-Est; 2012. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2012PEST1028.

Council of Science Editors:

Khalil H. Highly accurate studies of the rovibronic states of small size radicals : Etudes très précises des états rovibroniques des radicaux de petites tailles. [Doctoral Dissertation]. Université Paris-Est; 2012. Available from: http://www.theses.fr/2012PEST1028

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

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

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

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

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Maatouk, Amira. “Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters.” 2012. Doctoral Dissertation, Université Paris-Est. Accessed April 21, 2021. http://www.theses.fr/2012PEST1147.

MLA Handbook (7th Edition):

Maatouk, Amira. “Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters.” 2012. Web. 21 Apr 2021.

Vancouver:

Maatouk A. Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters. [Internet] [Doctoral dissertation]. Université Paris-Est; 2012. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2012PEST1147.

Council of Science Editors:

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

10. Iagupov, Ilia. Numerical design of meta-materials for photovoltaic applications : Design numérique de métamatériaux pour des applications photovoltaïques.

Degree: Docteur es, Physique de la matière condensée, 2018, Université Paris-Saclay (ComUE)

 Le but de la thèse était de simuler le spectre d'absorption de méta-matériaux pour les applications photovoltaïques. Par méta-matériaux, nous entendons une assemblée d'objets de… (more)

Subjects/Keywords: Ab-initio; Métamatériaux; Photovoltaïque numérique; Ab-initio; Metamaterials; Photovoltaics; 621.312 44

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Iagupov, I. (2018). Numerical design of meta-materials for photovoltaic applications : Design numérique de métamatériaux pour des applications photovoltaïques. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2018SACLX117

Chicago Manual of Style (16th Edition):

Iagupov, Ilia. “Numerical design of meta-materials for photovoltaic applications : Design numérique de métamatériaux pour des applications photovoltaïques.” 2018. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed April 21, 2021. http://www.theses.fr/2018SACLX117.

MLA Handbook (7th Edition):

Iagupov, Ilia. “Numerical design of meta-materials for photovoltaic applications : Design numérique de métamatériaux pour des applications photovoltaïques.” 2018. Web. 21 Apr 2021.

Vancouver:

Iagupov I. Numerical design of meta-materials for photovoltaic applications : Design numérique de métamatériaux pour des applications photovoltaïques. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2018. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2018SACLX117.

Council of Science Editors:

Iagupov I. Numerical design of meta-materials for photovoltaic applications : Design numérique de métamatériaux pour des applications photovoltaïques. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2018. Available from: http://www.theses.fr/2018SACLX117

11. Chauvin, Sophie. Cobaltates in the high-doping regime : Insights from first-principles calculations and extended dynamical mean-field theory : Etude des cobaltates fortement dopés par calculs premiers : Principes et théorie du champ moyen dynamique étendue.

Degree: Docteur es, Physique, 2016, Université Paris-Saclay (ComUE)

 Comme de nombreux autres oxydes de métaux de transition lamellaires, les cobaltates dopés au sodium, NaxCoO2, présentent un riche diagramme de phase. Les nombreuses instabilités… (more)

Subjects/Keywords: Corrélations; Cobaltates; Ab initio; Correlations; Cobaltates; Ab initio

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Chauvin, S. (2016). Cobaltates in the high-doping regime : Insights from first-principles calculations and extended dynamical mean-field theory : Etude des cobaltates fortement dopés par calculs premiers : Principes et théorie du champ moyen dynamique étendue. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2016SACLX110

Chicago Manual of Style (16th Edition):

Chauvin, Sophie. “Cobaltates in the high-doping regime : Insights from first-principles calculations and extended dynamical mean-field theory : Etude des cobaltates fortement dopés par calculs premiers : Principes et théorie du champ moyen dynamique étendue.” 2016. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed April 21, 2021. http://www.theses.fr/2016SACLX110.

MLA Handbook (7th Edition):

Chauvin, Sophie. “Cobaltates in the high-doping regime : Insights from first-principles calculations and extended dynamical mean-field theory : Etude des cobaltates fortement dopés par calculs premiers : Principes et théorie du champ moyen dynamique étendue.” 2016. Web. 21 Apr 2021.

Vancouver:

Chauvin S. Cobaltates in the high-doping regime : Insights from first-principles calculations and extended dynamical mean-field theory : Etude des cobaltates fortement dopés par calculs premiers : Principes et théorie du champ moyen dynamique étendue. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2016. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2016SACLX110.

Council of Science Editors:

Chauvin S. Cobaltates in the high-doping regime : Insights from first-principles calculations and extended dynamical mean-field theory : Etude des cobaltates fortement dopés par calculs premiers : Principes et théorie du champ moyen dynamique étendue. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2016. Available from: http://www.theses.fr/2016SACLX110


Brno University of Technology

12. Pleskot, Ondřej. Prvoprincipiální studium stability krystalů pevných látek: First-principles study of stability of solid crystals.

Degree: 2018, Brno University of Technology

 This work deals with a modeling of an electronic structure of solid crystals. Specifically, densities of valence electrons, and the density of states are calculated… (more)

Subjects/Keywords: Ab initio; prvoprincipiální; VASP; Ab initio; first-principles; VASP

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Pleskot, O. (2018). Prvoprincipiální studium stability krystalů pevných látek: First-principles study of stability of solid crystals. (Thesis). Brno University of Technology. Retrieved from http://hdl.handle.net/11012/33291

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):

Pleskot, Ondřej. “Prvoprincipiální studium stability krystalů pevných látek: First-principles study of stability of solid crystals.” 2018. Thesis, Brno University of Technology. Accessed April 21, 2021. http://hdl.handle.net/11012/33291.

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

MLA Handbook (7th Edition):

Pleskot, Ondřej. “Prvoprincipiální studium stability krystalů pevných látek: First-principles study of stability of solid crystals.” 2018. Web. 21 Apr 2021.

Vancouver:

Pleskot O. Prvoprincipiální studium stability krystalů pevných látek: First-principles study of stability of solid crystals. [Internet] [Thesis]. Brno University of Technology; 2018. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/11012/33291.

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

Council of Science Editors:

Pleskot O. Prvoprincipiální studium stability krystalů pevných látek: First-principles study of stability of solid crystals. [Thesis]. Brno University of Technology; 2018. Available from: http://hdl.handle.net/11012/33291

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


Ruhr Universität Bochum

13. Bialon, Arthur. The iron-boron system : ordered structures and point defects.

Degree: 2013, Ruhr Universität Bochum

 In der vorliegenden Dissertation wurde die Bildung von binären und ternären Phasen aus Übergangsmetallen und p-Block- Elementen mit Hilfe von Strukturkarten und das Eisen-Bor-System im… (more)

Subjects/Keywords: Dichtefunktionalformalismus; Ab-initio-Rechnung; Kristallstruktur; Kristallstrukturanalyse; Gitterbaufehler

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Bialon, A. (2013). The iron-boron system : ordered structures and point defects. (Thesis). Ruhr Universität Bochum. Retrieved from http://nbn-resolving.de/urn/resolver.pl?urn=urn:nbn:de:hbz:294-38641

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):

Bialon, Arthur. “The iron-boron system : ordered structures and point defects.” 2013. Thesis, Ruhr Universität Bochum. Accessed April 21, 2021. http://nbn-resolving.de/urn/resolver.pl?urn=urn:nbn:de:hbz:294-38641.

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

MLA Handbook (7th Edition):

Bialon, Arthur. “The iron-boron system : ordered structures and point defects.” 2013. Web. 21 Apr 2021.

Vancouver:

Bialon A. The iron-boron system : ordered structures and point defects. [Internet] [Thesis]. Ruhr Universität Bochum; 2013. [cited 2021 Apr 21]. Available from: http://nbn-resolving.de/urn/resolver.pl?urn=urn:nbn:de:hbz:294-38641.

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

Council of Science Editors:

Bialon A. The iron-boron system : ordered structures and point defects. [Thesis]. Ruhr Universität Bochum; 2013. Available from: http://nbn-resolving.de/urn/resolver.pl?urn=urn:nbn:de:hbz:294-38641

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


Addis Ababa University

14. GETASEW, MULUALEM. AB–INITIO CALCULATIONS OF STRUCTURAL AND ELECTRONIC PROPERTIES OF A BeXZn1-XSe TERNARY ALLOY .

Degree: 2013, Addis Ababa University

 We have used the ab-initio SIESTA code within the framework of DFT, LDA method to calculate the structural and electronic properties of BexZn1-xSe alloy for… (more)

Subjects/Keywords: ab-initio SIESTA code; DFT; LDA

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

GETASEW, M. (2013). AB–INITIO CALCULATIONS OF STRUCTURAL AND ELECTRONIC PROPERTIES OF A BeXZn1-XSe TERNARY ALLOY . (Thesis). Addis Ababa University. Retrieved from http://etd.aau.edu.et/dspace/handle/123456789/760

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):

GETASEW, MULUALEM. “AB–INITIO CALCULATIONS OF STRUCTURAL AND ELECTRONIC PROPERTIES OF A BeXZn1-XSe TERNARY ALLOY .” 2013. Thesis, Addis Ababa University. Accessed April 21, 2021. http://etd.aau.edu.et/dspace/handle/123456789/760.

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

MLA Handbook (7th Edition):

GETASEW, MULUALEM. “AB–INITIO CALCULATIONS OF STRUCTURAL AND ELECTRONIC PROPERTIES OF A BeXZn1-XSe TERNARY ALLOY .” 2013. Web. 21 Apr 2021.

Vancouver:

GETASEW M. AB–INITIO CALCULATIONS OF STRUCTURAL AND ELECTRONIC PROPERTIES OF A BeXZn1-XSe TERNARY ALLOY . [Internet] [Thesis]. Addis Ababa University; 2013. [cited 2021 Apr 21]. Available from: http://etd.aau.edu.et/dspace/handle/123456789/760.

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

Council of Science Editors:

GETASEW M. AB–INITIO CALCULATIONS OF STRUCTURAL AND ELECTRONIC PROPERTIES OF A BeXZn1-XSe TERNARY ALLOY . [Thesis]. Addis Ababa University; 2013. Available from: http://etd.aau.edu.et/dspace/handle/123456789/760

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


University of Illinois – Chicago

15. Buurma, Christopher F. Application of ab-initio Methods to Grain Boundaries and Point Defects for Poly-CdTe Solar Cells.

Degree: 2015, University of Illinois – Chicago

 CdTe is a material well-suited to solar cell applications due to its 1.5 eV direct bandgap and high optical absorption. To meet energy demands, CdTe… (more)

Subjects/Keywords: CdTe; Solar; ab-initio; Grain Boundary

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Buurma, C. F. (2015). Application of ab-initio Methods to Grain Boundaries and Point Defects for Poly-CdTe Solar Cells. (Thesis). University of Illinois – Chicago. Retrieved from http://hdl.handle.net/10027/19477

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):

Buurma, Christopher F. “Application of ab-initio Methods to Grain Boundaries and Point Defects for Poly-CdTe Solar Cells.” 2015. Thesis, University of Illinois – Chicago. Accessed April 21, 2021. http://hdl.handle.net/10027/19477.

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

MLA Handbook (7th Edition):

Buurma, Christopher F. “Application of ab-initio Methods to Grain Boundaries and Point Defects for Poly-CdTe Solar Cells.” 2015. Web. 21 Apr 2021.

Vancouver:

Buurma CF. Application of ab-initio Methods to Grain Boundaries and Point Defects for Poly-CdTe Solar Cells. [Internet] [Thesis]. University of Illinois – Chicago; 2015. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/10027/19477.

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

Council of Science Editors:

Buurma CF. Application of ab-initio Methods to Grain Boundaries and Point Defects for Poly-CdTe Solar Cells. [Thesis]. University of Illinois – Chicago; 2015. Available from: http://hdl.handle.net/10027/19477

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


University of Melbourne

16. Huang, Haibei. Magnetic interactions between lanthanide single molecule magnets and a magnetic substrate.

Degree: 2018, University of Melbourne

 We have theoretically and computationally investigated the magnetic interaction between the Ln III Pc 2 (Ln=Tb, Dy, Ho and Er; Pc=dianion of phthalocyanine) molecule and… (more)

Subjects/Keywords: lanthanides; single molecule magnets; ab-initio

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Huang, H. (2018). Magnetic interactions between lanthanide single molecule magnets and a magnetic substrate. (Doctoral Dissertation). University of Melbourne. Retrieved from http://hdl.handle.net/11343/214488

Chicago Manual of Style (16th Edition):

Huang, Haibei. “Magnetic interactions between lanthanide single molecule magnets and a magnetic substrate.” 2018. Doctoral Dissertation, University of Melbourne. Accessed April 21, 2021. http://hdl.handle.net/11343/214488.

MLA Handbook (7th Edition):

Huang, Haibei. “Magnetic interactions between lanthanide single molecule magnets and a magnetic substrate.” 2018. Web. 21 Apr 2021.

Vancouver:

Huang H. Magnetic interactions between lanthanide single molecule magnets and a magnetic substrate. [Internet] [Doctoral dissertation]. University of Melbourne; 2018. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/11343/214488.

Council of Science Editors:

Huang H. Magnetic interactions between lanthanide single molecule magnets and a magnetic substrate. [Doctoral Dissertation]. University of Melbourne; 2018. Available from: http://hdl.handle.net/11343/214488


Georgia Tech

17. Plaisance, Brandon P. First principles approach to identification of potential ferroelectric and multiferroic molecular materials.

Degree: MS, Chemical and Biomolecular Engineering, 2016, Georgia Tech

 Flexible electronics have garnered much interest over the past several decades. Hybrid organic-inorganic materials, such as metal-organic frameworks, offer a unique opportunity to encompass the… (more)

Subjects/Keywords: Ferroelectricity; Multiferroicity; Metal-organic frameworks; Ab initio

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Plaisance, B. P. (2016). First principles approach to identification of potential ferroelectric and multiferroic molecular materials. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/55039

Chicago Manual of Style (16th Edition):

Plaisance, Brandon P. “First principles approach to identification of potential ferroelectric and multiferroic molecular materials.” 2016. Masters Thesis, Georgia Tech. Accessed April 21, 2021. http://hdl.handle.net/1853/55039.

MLA Handbook (7th Edition):

Plaisance, Brandon P. “First principles approach to identification of potential ferroelectric and multiferroic molecular materials.” 2016. Web. 21 Apr 2021.

Vancouver:

Plaisance BP. First principles approach to identification of potential ferroelectric and multiferroic molecular materials. [Internet] [Masters thesis]. Georgia Tech; 2016. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/1853/55039.

Council of Science Editors:

Plaisance BP. First principles approach to identification of potential ferroelectric and multiferroic molecular materials. [Masters Thesis]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/55039


University of Tennessee – Knoxville

18. Li, Congyi. Characterization of Radiation Effects and <i>Ab Initio</i> Modeling of Defects in a High Entropy Alloy for Nuclear Power Application.

Degree: 2018, University of Tennessee – Knoxville

 A novel Co-free NiFeMnCr HEA was synthesized for both ion and neutron irradiation studies. 3 and 5.8MeV heavy ion irradiations were conducted at room temperature… (more)

Subjects/Keywords: Radiation Effect; Alloy; Ab initio Modeling

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Li, C. (2018). Characterization of Radiation Effects and <i>Ab Initio</i> Modeling of Defects in a High Entropy Alloy for Nuclear Power Application. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/5005

Chicago Manual of Style (16th Edition):

Li, Congyi. “Characterization of Radiation Effects and <i>Ab Initio</i> Modeling of Defects in a High Entropy Alloy for Nuclear Power Application.” 2018. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed April 21, 2021. https://trace.tennessee.edu/utk_graddiss/5005.

MLA Handbook (7th Edition):

Li, Congyi. “Characterization of Radiation Effects and <i>Ab Initio</i> Modeling of Defects in a High Entropy Alloy for Nuclear Power Application.” 2018. Web. 21 Apr 2021.

Vancouver:

Li C. Characterization of Radiation Effects and <i>Ab Initio</i> Modeling of Defects in a High Entropy Alloy for Nuclear Power Application. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2018. [cited 2021 Apr 21]. Available from: https://trace.tennessee.edu/utk_graddiss/5005.

Council of Science Editors:

Li C. Characterization of Radiation Effects and <i>Ab Initio</i> Modeling of Defects in a High Entropy Alloy for Nuclear Power Application. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2018. Available from: https://trace.tennessee.edu/utk_graddiss/5005

19. 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 21, 2021. http://www.theses.fr/2018NANT4021.

MLA Handbook (7th Edition):

Azarias, Cloé. “Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines.” 2018. Web. 21 Apr 2021.

Vancouver:

Azarias C. Modeling azacalixphyrin macrocycles : Modélisation de macrocycles de la famille des azacalixphyrines. [Internet] [Doctoral dissertation]. Nantes; 2018. [cited 2021 Apr 21]. 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


Colorado School of Mines

20. LaCount, Michael D. Energy pooling upconversion in free space and optical cavities.

Degree: PhD, Physics, 2017, Colorado School of Mines

 The ability to efficiently convert the wavelength of light has value in a wide range of disciplines that include the fields of photovoltaics, plant growth,… (more)

Subjects/Keywords: cavity; perturbation; upconversion; kinetic; Ab initio; QED

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

LaCount, M. D. (2017). Energy pooling upconversion in free space and optical cavities. (Doctoral Dissertation). Colorado School of Mines. Retrieved from http://hdl.handle.net/11124/170985

Chicago Manual of Style (16th Edition):

LaCount, Michael D. “Energy pooling upconversion in free space and optical cavities.” 2017. Doctoral Dissertation, Colorado School of Mines. Accessed April 21, 2021. http://hdl.handle.net/11124/170985.

MLA Handbook (7th Edition):

LaCount, Michael D. “Energy pooling upconversion in free space and optical cavities.” 2017. Web. 21 Apr 2021.

Vancouver:

LaCount MD. Energy pooling upconversion in free space and optical cavities. [Internet] [Doctoral dissertation]. Colorado School of Mines; 2017. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/11124/170985.

Council of Science Editors:

LaCount MD. Energy pooling upconversion in free space and optical cavities. [Doctoral Dissertation]. Colorado School of Mines; 2017. Available from: http://hdl.handle.net/11124/170985

21. COURA, D. V. B. Estudo ab initio do sistema molecular HCO de interesse atmosférico.

Degree: 2018, Universidade Federal do Espírito Santo; Mestrado em Física; Programa de Pós-Graduação em Física; UFES; BR

Made available in DSpace on 2018-08-01T21:59:24Z (GMT). No. of bitstreams: 1 tese_11854_Dissertação Final Daniel Vitor B. Coura - PPGFis.pdf: 1279828 bytes, checksum: 3fc2081f8caf4a6f36fb23b02e664244 (MD5) Previous… (more)

Subjects/Keywords: Interação molecular; Cálculos ab initio; Molécula HCO

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

COURA, D. V. B. (2018). Estudo ab initio do sistema molecular HCO de interesse atmosférico. (Masters Thesis). Universidade Federal do Espírito Santo; Mestrado em Física; Programa de Pós-Graduação em Física; UFES; BR. Retrieved from http://repositorio.ufes.br/handle/10/7371

Chicago Manual of Style (16th Edition):

COURA, D V B. “Estudo ab initio do sistema molecular HCO de interesse atmosférico.” 2018. Masters Thesis, Universidade Federal do Espírito Santo; Mestrado em Física; Programa de Pós-Graduação em Física; UFES; BR. Accessed April 21, 2021. http://repositorio.ufes.br/handle/10/7371.

MLA Handbook (7th Edition):

COURA, D V B. “Estudo ab initio do sistema molecular HCO de interesse atmosférico.” 2018. Web. 21 Apr 2021.

Vancouver:

COURA DVB. Estudo ab initio do sistema molecular HCO de interesse atmosférico. [Internet] [Masters thesis]. Universidade Federal do Espírito Santo; Mestrado em Física; Programa de Pós-Graduação em Física; UFES; BR; 2018. [cited 2021 Apr 21]. Available from: http://repositorio.ufes.br/handle/10/7371.

Council of Science Editors:

COURA DVB. Estudo ab initio do sistema molecular HCO de interesse atmosférico. [Masters Thesis]. Universidade Federal do Espírito Santo; Mestrado em Física; Programa de Pós-Graduação em Física; UFES; BR; 2018. Available from: http://repositorio.ufes.br/handle/10/7371


Johannes Gutenberg Universität Mainz

22. Wendler, Katharina. Ionic liquids in a multiscale study.

Degree: 2012, Johannes Gutenberg Universität Mainz

Trotz des hohen Interesse an Ionischen Flüssigkeiten wird das zielgerichtete Design und die Anwendung Ionischer Flüssigkeiten durch fehlendes grundlegendes Verständnis erschwert. Deshalb wurde die Balance… (more)

Subjects/Keywords: Ionische Fluessigkeiten, ab-initio-Molekulardynamik; ionic liquids, ab-initio molecular dynamics; Chemistry and allied sciences

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Wendler, K. (2012). Ionic liquids in a multiscale study. (Doctoral Dissertation). Johannes Gutenberg Universität Mainz. Retrieved from http://ubm.opus.hbz-nrw.de/volltexte/2012/3075/

Chicago Manual of Style (16th Edition):

Wendler, Katharina. “Ionic liquids in a multiscale study.” 2012. Doctoral Dissertation, Johannes Gutenberg Universität Mainz. Accessed April 21, 2021. http://ubm.opus.hbz-nrw.de/volltexte/2012/3075/.

MLA Handbook (7th Edition):

Wendler, Katharina. “Ionic liquids in a multiscale study.” 2012. Web. 21 Apr 2021.

Vancouver:

Wendler K. Ionic liquids in a multiscale study. [Internet] [Doctoral dissertation]. Johannes Gutenberg Universität Mainz; 2012. [cited 2021 Apr 21]. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2012/3075/.

Council of Science Editors:

Wendler K. Ionic liquids in a multiscale study. [Doctoral Dissertation]. Johannes Gutenberg Universität Mainz; 2012. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2012/3075/

23. Chen, Si. Influence de l'orientation des grains de ferrite sur l'oxydation sélective de l'acier : Influence of ferrite grain orientation on selective oxidation of steel.

Degree: Docteur es, Sciences des matériaux, 2012, Châtenay-Malabry, Ecole centrale de Paris

Le procédé de galvanisation en continu consiste à recouvrir les tôles d’aciers d’un revêtement de zinc en les immergeant dans un bain métallique fondu. Lors… (more)

Subjects/Keywords: Recuit continu; Oxydation sélective; Calcul ab initio; Continuous annealing; Selective oxidation; Ab initio calculation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Chen, S. (2012). Influence de l'orientation des grains de ferrite sur l'oxydation sélective de l'acier : Influence of ferrite grain orientation on selective oxidation of steel. (Doctoral Dissertation). Châtenay-Malabry, Ecole centrale de Paris. Retrieved from http://www.theses.fr/2012ECAP0018

Chicago Manual of Style (16th Edition):

Chen, Si. “Influence de l'orientation des grains de ferrite sur l'oxydation sélective de l'acier : Influence of ferrite grain orientation on selective oxidation of steel.” 2012. Doctoral Dissertation, Châtenay-Malabry, Ecole centrale de Paris. Accessed April 21, 2021. http://www.theses.fr/2012ECAP0018.

MLA Handbook (7th Edition):

Chen, Si. “Influence de l'orientation des grains de ferrite sur l'oxydation sélective de l'acier : Influence of ferrite grain orientation on selective oxidation of steel.” 2012. Web. 21 Apr 2021.

Vancouver:

Chen S. Influence de l'orientation des grains de ferrite sur l'oxydation sélective de l'acier : Influence of ferrite grain orientation on selective oxidation of steel. [Internet] [Doctoral dissertation]. Châtenay-Malabry, Ecole centrale de Paris; 2012. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2012ECAP0018.

Council of Science Editors:

Chen S. Influence de l'orientation des grains de ferrite sur l'oxydation sélective de l'acier : Influence of ferrite grain orientation on selective oxidation of steel. [Doctoral Dissertation]. Châtenay-Malabry, Ecole centrale de Paris; 2012. Available from: http://www.theses.fr/2012ECAP0018

24. Bruna Luana Marcial. Estudo da estrutura e reatividade de híbridos moleculares de platina(II) com potencial antitumoral.

Degree: 2009, Universidade Federal de Juiz de Fora

In this work, theoretical methods were applied to evaluate the structural, thermodynamic and kinetic properties of compounds analog to cisplatin, named molecular hybrids, because they… (more)

Subjects/Keywords: Tetraciclina; Platina(II); QUIMICA; Cálculos ab initio; Platinum(II); Tetracycline; Ab initio calculations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Marcial, B. L. (2009). Estudo da estrutura e reatividade de híbridos moleculares de platina(II) com potencial antitumoral. (Thesis). Universidade Federal de Juiz de Fora. Retrieved from http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=612

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):

Marcial, Bruna Luana. “Estudo da estrutura e reatividade de híbridos moleculares de platina(II) com potencial antitumoral.” 2009. Thesis, Universidade Federal de Juiz de Fora. Accessed April 21, 2021. http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=612.

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

MLA Handbook (7th Edition):

Marcial, Bruna Luana. “Estudo da estrutura e reatividade de híbridos moleculares de platina(II) com potencial antitumoral.” 2009. Web. 21 Apr 2021.

Vancouver:

Marcial BL. Estudo da estrutura e reatividade de híbridos moleculares de platina(II) com potencial antitumoral. [Internet] [Thesis]. Universidade Federal de Juiz de Fora; 2009. [cited 2021 Apr 21]. Available from: http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=612.

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

Council of Science Editors:

Marcial BL. Estudo da estrutura e reatividade de híbridos moleculares de platina(II) com potencial antitumoral. [Thesis]. Universidade Federal de Juiz de Fora; 2009. Available from: http://www.bdtd.ufjf.br/tde_busca/arquivo.php?codArquivo=612

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

25. Brites, Vincent. Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques : Ab Initio Determination of Electronic Potentials for Spectroscopic Datas Computation.

Degree: Docteur es, Chimie, 2010, Université Paris-Est

La structure et la spectroscopie de molécules d'intérêt astrophysique ont été étudiées par des méthodes de calcul électronique ab initio hautement corrélées. Notre démarche a… (more)

Subjects/Keywords: Calculs ab initio; Spectroscopie théorique; États excités; Ab initio calculations; Theoretical spectroscopy; Excited states

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Brites, V. (2010). Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques : Ab Initio Determination of Electronic Potentials for Spectroscopic Datas Computation. (Doctoral Dissertation). Université Paris-Est. Retrieved from http://www.theses.fr/2010PEST1052

Chicago Manual of Style (16th Edition):

Brites, Vincent. “Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques : Ab Initio Determination of Electronic Potentials for Spectroscopic Datas Computation.” 2010. Doctoral Dissertation, Université Paris-Est. Accessed April 21, 2021. http://www.theses.fr/2010PEST1052.

MLA Handbook (7th Edition):

Brites, Vincent. “Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques : Ab Initio Determination of Electronic Potentials for Spectroscopic Datas Computation.” 2010. Web. 21 Apr 2021.

Vancouver:

Brites V. Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques : Ab Initio Determination of Electronic Potentials for Spectroscopic Datas Computation. [Internet] [Doctoral dissertation]. Université Paris-Est; 2010. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2010PEST1052.

Council of Science Editors:

Brites V. Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques : Ab Initio Determination of Electronic Potentials for Spectroscopic Datas Computation. [Doctoral Dissertation]. Université Paris-Est; 2010. Available from: http://www.theses.fr/2010PEST1052

26. Brymora, Katarzyna. Modélisation des propriétés magnétiques et optiques de nanoparticules d’intérêt médical : Modeling of magnetic and optical properties of nanoparticles in medical interest.

Degree: Docteur es, Physique, 2013, Le Mans

Cette thèse porte sur la modélisation ab initio des ligands et des nanoparticules magnétiques utilisés en médecine (hyperthermie magnétique, imagerie médicale ...). Les calculs sont… (more)

Subjects/Keywords: Nanoparticules magnétiques; DFT; Ab initio; Fonctionnalisation; Magnetic nanoparticles; DFT; Ab initio; Fonctionalization; 620.5

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Brymora, K. (2013). Modélisation des propriétés magnétiques et optiques de nanoparticules d’intérêt médical : Modeling of magnetic and optical properties of nanoparticles in medical interest. (Doctoral Dissertation). Le Mans. Retrieved from http://www.theses.fr/2013LEMA1015

Chicago Manual of Style (16th Edition):

Brymora, Katarzyna. “Modélisation des propriétés magnétiques et optiques de nanoparticules d’intérêt médical : Modeling of magnetic and optical properties of nanoparticles in medical interest.” 2013. Doctoral Dissertation, Le Mans. Accessed April 21, 2021. http://www.theses.fr/2013LEMA1015.

MLA Handbook (7th Edition):

Brymora, Katarzyna. “Modélisation des propriétés magnétiques et optiques de nanoparticules d’intérêt médical : Modeling of magnetic and optical properties of nanoparticles in medical interest.” 2013. Web. 21 Apr 2021.

Vancouver:

Brymora K. Modélisation des propriétés magnétiques et optiques de nanoparticules d’intérêt médical : Modeling of magnetic and optical properties of nanoparticles in medical interest. [Internet] [Doctoral dissertation]. Le Mans; 2013. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2013LEMA1015.

Council of Science Editors:

Brymora K. Modélisation des propriétés magnétiques et optiques de nanoparticules d’intérêt médical : Modeling of magnetic and optical properties of nanoparticles in medical interest. [Doctoral Dissertation]. Le Mans; 2013. Available from: http://www.theses.fr/2013LEMA1015

27. Cahier, Benjamin. Étude théorique de l'anisotropie magnétique dans des complexes de métaux de transition : application à des complexes mono- et binucléaires de Ni(II) et Co(II) : Theoretical approach to magnetic anisotropy in transition metal complexes : application to Ni(II) and Co(II) mono- and binuclear complexes.

Degree: Docteur es, Chimie, 2018, Université Paris-Saclay (ComUE)

 Les molécules-aimants sont des complexes moléculaires contenant des ions des métaux de transition ou des lanthanides capables de présenter le phénomène de blocage de l’aimantation… (more)

Subjects/Keywords: Magnétisme moléculaire; Calculs ab initio; Molécules aimants; Molecular magnetism; Ab initio calculations; Single molecule magnets

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Cahier, B. (2018). Étude théorique de l'anisotropie magnétique dans des complexes de métaux de transition : application à des complexes mono- et binucléaires de Ni(II) et Co(II) : Theoretical approach to magnetic anisotropy in transition metal complexes : application to Ni(II) and Co(II) mono- and binuclear complexes. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2018SACLS070

Chicago Manual of Style (16th Edition):

Cahier, Benjamin. “Étude théorique de l'anisotropie magnétique dans des complexes de métaux de transition : application à des complexes mono- et binucléaires de Ni(II) et Co(II) : Theoretical approach to magnetic anisotropy in transition metal complexes : application to Ni(II) and Co(II) mono- and binuclear complexes.” 2018. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed April 21, 2021. http://www.theses.fr/2018SACLS070.

MLA Handbook (7th Edition):

Cahier, Benjamin. “Étude théorique de l'anisotropie magnétique dans des complexes de métaux de transition : application à des complexes mono- et binucléaires de Ni(II) et Co(II) : Theoretical approach to magnetic anisotropy in transition metal complexes : application to Ni(II) and Co(II) mono- and binuclear complexes.” 2018. Web. 21 Apr 2021.

Vancouver:

Cahier B. Étude théorique de l'anisotropie magnétique dans des complexes de métaux de transition : application à des complexes mono- et binucléaires de Ni(II) et Co(II) : Theoretical approach to magnetic anisotropy in transition metal complexes : application to Ni(II) and Co(II) mono- and binuclear complexes. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2018. [cited 2021 Apr 21]. Available from: http://www.theses.fr/2018SACLS070.

Council of Science Editors:

Cahier B. Étude théorique de l'anisotropie magnétique dans des complexes de métaux de transition : application à des complexes mono- et binucléaires de Ni(II) et Co(II) : Theoretical approach to magnetic anisotropy in transition metal complexes : application to Ni(II) and Co(II) mono- and binuclear complexes. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2018. Available from: http://www.theses.fr/2018SACLS070


Uniwersytet im. Adama Mickiewicza w Poznaniu

28. Mikulski, Damian. Teoretyczne badanie biofizykochemicznych właściwości resweratrolu i jego pochodnych .

Degree: 2011, Uniwersytet im. Adama Mickiewicza w Poznaniu

 Trans-resweratrol to związek będący hydroksylową pochodną trans-stilbenu. Dowiedziono, że jest on silnym antyoksydantem, substancją antynowotworową, przeciwzapalną, antywirusową oraz antylipemiczną. Spośród wielu substancji aktywnych zawartych w… (more)

Subjects/Keywords: trans-resweratrol; trans-resveratrol; antyoksydanty; antioxidants; optymalizacja; optimisation; metody ab initio; ab initio method

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Mikulski, D. (2011). Teoretyczne badanie biofizykochemicznych właściwości resweratrolu i jego pochodnych . (Doctoral Dissertation). Uniwersytet im. Adama Mickiewicza w Poznaniu. Retrieved from http://hdl.handle.net/10593/947

Chicago Manual of Style (16th Edition):

Mikulski, Damian. “Teoretyczne badanie biofizykochemicznych właściwości resweratrolu i jego pochodnych .” 2011. Doctoral Dissertation, Uniwersytet im. Adama Mickiewicza w Poznaniu. Accessed April 21, 2021. http://hdl.handle.net/10593/947.

MLA Handbook (7th Edition):

Mikulski, Damian. “Teoretyczne badanie biofizykochemicznych właściwości resweratrolu i jego pochodnych .” 2011. Web. 21 Apr 2021.

Vancouver:

Mikulski D. Teoretyczne badanie biofizykochemicznych właściwości resweratrolu i jego pochodnych . [Internet] [Doctoral dissertation]. Uniwersytet im. Adama Mickiewicza w Poznaniu; 2011. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/10593/947.

Council of Science Editors:

Mikulski D. Teoretyczne badanie biofizykochemicznych właściwości resweratrolu i jego pochodnych . [Doctoral Dissertation]. Uniwersytet im. Adama Mickiewicza w Poznaniu; 2011. Available from: http://hdl.handle.net/10593/947

29. Koliogiorgos, Athanasios. Υπολογιστικές προσομοιώσεις από πρώτες αρχές της ηλεκτρονικής δομής συνήθων και υβριδικών αλογονούχων περοβσκιτικών υλικών.

Degree: 2019, University of Patras; Πανεπιστήμιο Πατρών

 Halide perovskites constitute a group of materials that have come under the spotlight in the search for novel photovoltaics and optoelectronic materials, thanks to their… (more)

Subjects/Keywords: Ab initio υπολογισμοί; Υπολογισμοί DFT; Περοβσκίτες; Ηλεκτρονική δομή; DFT; Ab initio calculations; Perovskites; Electronic structure

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Koliogiorgos, A. (2019). Υπολογιστικές προσομοιώσεις από πρώτες αρχές της ηλεκτρονικής δομής συνήθων και υβριδικών αλογονούχων περοβσκιτικών υλικών. (Thesis). University of Patras; Πανεπιστήμιο Πατρών. Retrieved from http://hdl.handle.net/10442/hedi/45308

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):

Koliogiorgos, Athanasios. “Υπολογιστικές προσομοιώσεις από πρώτες αρχές της ηλεκτρονικής δομής συνήθων και υβριδικών αλογονούχων περοβσκιτικών υλικών.” 2019. Thesis, University of Patras; Πανεπιστήμιο Πατρών. Accessed April 21, 2021. http://hdl.handle.net/10442/hedi/45308.

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

MLA Handbook (7th Edition):

Koliogiorgos, Athanasios. “Υπολογιστικές προσομοιώσεις από πρώτες αρχές της ηλεκτρονικής δομής συνήθων και υβριδικών αλογονούχων περοβσκιτικών υλικών.” 2019. Web. 21 Apr 2021.

Vancouver:

Koliogiorgos A. Υπολογιστικές προσομοιώσεις από πρώτες αρχές της ηλεκτρονικής δομής συνήθων και υβριδικών αλογονούχων περοβσκιτικών υλικών. [Internet] [Thesis]. University of Patras; Πανεπιστήμιο Πατρών; 2019. [cited 2021 Apr 21]. Available from: http://hdl.handle.net/10442/hedi/45308.

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

Council of Science Editors:

Koliogiorgos A. Υπολογιστικές προσομοιώσεις από πρώτες αρχές της ηλεκτρονικής δομής συνήθων και υβριδικών αλογονούχων περοβσκιτικών υλικών. [Thesis]. University of Patras; Πανεπιστήμιο Πατρών; 2019. Available from: http://hdl.handle.net/10442/hedi/45308

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

30. Rommel Bezerra Viana. Estudo químico-quântico de compostos de fósforo: estabilidade e propriedades eletrônicas.

Degree: 2013, University of São Paulo

Os compostos de fósforo apresentam várias implicações em processos atmosféricos e interestelares. Nesta tese, será realizado um estudo ab initio em três diferentes sistemas. (i)… (more)

Subjects/Keywords: ab initio; astroquímica; CCSD(T); interestelar; ab initio; astrochemistry; CCSD(T); interstellar

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Viana, R. B. (2013). Estudo químico-quântico de compostos de fósforo: estabilidade e propriedades eletrônicas. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/75/75134/tde-23042013-104953/

Chicago Manual of Style (16th Edition):

Viana, Rommel Bezerra. “Estudo químico-quântico de compostos de fósforo: estabilidade e propriedades eletrônicas.” 2013. Doctoral Dissertation, University of São Paulo. Accessed April 21, 2021. http://www.teses.usp.br/teses/disponiveis/75/75134/tde-23042013-104953/.

MLA Handbook (7th Edition):

Viana, Rommel Bezerra. “Estudo químico-quântico de compostos de fósforo: estabilidade e propriedades eletrônicas.” 2013. Web. 21 Apr 2021.

Vancouver:

Viana RB. Estudo químico-quântico de compostos de fósforo: estabilidade e propriedades eletrônicas. [Internet] [Doctoral dissertation]. University of São Paulo; 2013. [cited 2021 Apr 21]. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-23042013-104953/.

Council of Science Editors:

Viana RB. Estudo químico-quântico de compostos de fósforo: estabilidade e propriedades eletrônicas. [Doctoral Dissertation]. University of São Paulo; 2013. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-23042013-104953/

[1] [2] [3] [4] [5] … [24]

.