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:(Dynamique mol culaire ab initio). Showing records 1 – 30 of 4113 total matches.

[1] [2] [3] [4] [5] … [138]

Search Limiters

Last 2 Years | English Only

Degrees

Levels

Languages

Country

▼ Search Limiters

1. Ducher, Manoj. Fractionnement isotopique du zinc à l'équilibre par calcul ab initio : Ab initio calculations of equilibrium zinc isotope fractionation.

Degree: Docteur es, Physique et Chimie des Matériaux, 2017, Université Pierre et Marie Curie – Paris VI

La mesure de composition isotopique est utilisée dans l'étude du cycle biogéochimique du zinc ; cycle largement impacté par les activités anthropiques. Toutefois, l'interprétation de… (more)

Subjects/Keywords: Fractionnement isotopique; Zinc; Dft; Ab initio; Pollution; Dynamique moléculaire; Elément en trace; Isotopic fractionation; Dft; Ab initio; 541.3

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Ducher, M. (2017). Fractionnement isotopique du zinc à l'équilibre par calcul ab initio : Ab initio calculations of equilibrium zinc isotope fractionation. (Doctoral Dissertation). Université Pierre et Marie Curie – Paris VI. Retrieved from http://www.theses.fr/2017PA066318

Chicago Manual of Style (16th Edition):

Ducher, Manoj. “Fractionnement isotopique du zinc à l'équilibre par calcul ab initio : Ab initio calculations of equilibrium zinc isotope fractionation.” 2017. Doctoral Dissertation, Université Pierre et Marie Curie – Paris VI. Accessed January 27, 2020. http://www.theses.fr/2017PA066318.

MLA Handbook (7th Edition):

Ducher, Manoj. “Fractionnement isotopique du zinc à l'équilibre par calcul ab initio : Ab initio calculations of equilibrium zinc isotope fractionation.” 2017. Web. 27 Jan 2020.

Vancouver:

Ducher M. Fractionnement isotopique du zinc à l'équilibre par calcul ab initio : Ab initio calculations of equilibrium zinc isotope fractionation. [Internet] [Doctoral dissertation]. Université Pierre et Marie Curie – Paris VI; 2017. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2017PA066318.

Council of Science Editors:

Ducher M. Fractionnement isotopique du zinc à l'équilibre par calcul ab initio : Ab initio calculations of equilibrium zinc isotope fractionation. [Doctoral Dissertation]. Université Pierre et Marie Curie – Paris VI; 2017. Available from: http://www.theses.fr/2017PA066318


University of Georgia

2. Stibrich, Nathan Joseph. Focal point extrapolation procedures: extension to the coupled cluster singles, doubles, triples, and perturbative quadruples CCSDT(Q) level of theory.

Degree: MS, Chemistry, 2008, University of Georgia

 The high level of accuracy obtained with present computational chemistry methods is rapidly increasing with faster computing, more efficient codes, and higher levels of theory… (more)

Subjects/Keywords: Ab initio

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Stibrich, N. J. (2008). Focal point extrapolation procedures: extension to the coupled cluster singles, doubles, triples, and perturbative quadruples CCSDT(Q) level of theory. (Masters Thesis). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/stibrich_nathan_j_200808_ms

Chicago Manual of Style (16th Edition):

Stibrich, Nathan Joseph. “Focal point extrapolation procedures: extension to the coupled cluster singles, doubles, triples, and perturbative quadruples CCSDT(Q) level of theory.” 2008. Masters Thesis, University of Georgia. Accessed January 27, 2020. http://purl.galileo.usg.edu/uga_etd/stibrich_nathan_j_200808_ms.

MLA Handbook (7th Edition):

Stibrich, Nathan Joseph. “Focal point extrapolation procedures: extension to the coupled cluster singles, doubles, triples, and perturbative quadruples CCSDT(Q) level of theory.” 2008. Web. 27 Jan 2020.

Vancouver:

Stibrich NJ. Focal point extrapolation procedures: extension to the coupled cluster singles, doubles, triples, and perturbative quadruples CCSDT(Q) level of theory. [Internet] [Masters thesis]. University of Georgia; 2008. [cited 2020 Jan 27]. Available from: http://purl.galileo.usg.edu/uga_etd/stibrich_nathan_j_200808_ms.

Council of Science Editors:

Stibrich NJ. Focal point extrapolation procedures: extension to the coupled cluster singles, doubles, triples, and perturbative quadruples CCSDT(Q) level of theory. [Masters Thesis]. University of Georgia; 2008. Available from: http://purl.galileo.usg.edu/uga_etd/stibrich_nathan_j_200808_ms


University of Georgia

3. Bera, Partha Pratim. Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs.

Degree: PhD, Chemistry, 2007, University of Georgia

Ab initio quantum chemistry (AIQC) methods have been employed in order to investigate small environmentally active triatomic NO2 to large DNA base pairs in this… (more)

Subjects/Keywords: ab initio

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Bera, P. P. (2007). Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd

Chicago Manual of Style (16th Edition):

Bera, Partha Pratim. “Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs.” 2007. Doctoral Dissertation, University of Georgia. Accessed January 27, 2020. http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd.

MLA Handbook (7th Edition):

Bera, Partha Pratim. “Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs.” 2007. Web. 27 Jan 2020.

Vancouver:

Bera PP. Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs. [Internet] [Doctoral dissertation]. University of Georgia; 2007. [cited 2020 Jan 27]. Available from: http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd.

Council of Science Editors:

Bera PP. Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs. [Doctoral Dissertation]. University of Georgia; 2007. Available from: http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd

4. Ajili, Yosra. Etude de la dynamique d'excitation ro-vibrationnelle de molécules d'intérêt astrophysique par collision avec He ou H2 : Study of the dynamic of ro-vibrational excitation of Astrophysics molecules by collision with He or H2.

Degree: Docteur es, Chimie, 2014, Université Paris-Est

Le but principal de ce travail est d'examiner la capacité des méthodes clusters couplés explicitement corrélées (CCSD(T)-F12) pour la génération des surface de potentiel (SEPs)… (more)

Subjects/Keywords: Ab initio; Surface d’énergie potentielle; Corrélation explicite; Energie d'interaction -; Dynamique; Excitation rotationnelle.; Ab initio; Potential energy surface; Explicit correlation; Interaction energy; Dynamic; Rotational excitation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Ajili, Y. (2014). Etude de la dynamique d'excitation ro-vibrationnelle de molécules d'intérêt astrophysique par collision avec He ou H2 : Study of the dynamic of ro-vibrational excitation of Astrophysics molecules by collision with He or H2. (Doctoral Dissertation). Université Paris-Est. Retrieved from http://www.theses.fr/2014PEST1057

Chicago Manual of Style (16th Edition):

Ajili, Yosra. “Etude de la dynamique d'excitation ro-vibrationnelle de molécules d'intérêt astrophysique par collision avec He ou H2 : Study of the dynamic of ro-vibrational excitation of Astrophysics molecules by collision with He or H2.” 2014. Doctoral Dissertation, Université Paris-Est. Accessed January 27, 2020. http://www.theses.fr/2014PEST1057.

MLA Handbook (7th Edition):

Ajili, Yosra. “Etude de la dynamique d'excitation ro-vibrationnelle de molécules d'intérêt astrophysique par collision avec He ou H2 : Study of the dynamic of ro-vibrational excitation of Astrophysics molecules by collision with He or H2.” 2014. Web. 27 Jan 2020.

Vancouver:

Ajili Y. Etude de la dynamique d'excitation ro-vibrationnelle de molécules d'intérêt astrophysique par collision avec He ou H2 : Study of the dynamic of ro-vibrational excitation of Astrophysics molecules by collision with He or H2. [Internet] [Doctoral dissertation]. Université Paris-Est; 2014. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2014PEST1057.

Council of Science Editors:

Ajili Y. Etude de la dynamique d'excitation ro-vibrationnelle de molécules d'intérêt astrophysique par collision avec He ou H2 : Study of the dynamic of ro-vibrational excitation of Astrophysics molecules by collision with He or H2. [Doctoral Dissertation]. Université Paris-Est; 2014. Available from: http://www.theses.fr/2014PEST1057


Université de Lorraine

5. Chentouf, Sara. Étude du comportement de Fe3Al et son joint de grains Σ5(310)[001] en présence de Ti et Zr par méthodes ab initio avec prise en compte de l'effet de la température : Study of the behavior of Fe3Al and its grain boundary Σ5(310) [001] with Ti and Zr additions using ab initio methods by taking into account the effect of temperature.

Degree: Docteur es, Sciences des Matériaux, 2012, Université de Lorraine

Les alliages intermétalliques riches en fer du système fer-aluminium, Fe3Al, ont des caractéristiques très intéressantes pour des applications mécaniques à haute température. Ils possèdent, comme… (more)

Subjects/Keywords: Intermétalliques Fe3Al-D03; Dynamique moléculaire ab initio; Éléments d'addition Ti et Zr; Méthodes ab initio; Joint de grains [sigma]5(310)[001]; 620.16; 669.9

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Chentouf, S. (2012). Étude du comportement de Fe3Al et son joint de grains Σ5(310)[001] en présence de Ti et Zr par méthodes ab initio avec prise en compte de l'effet de la température : Study of the behavior of Fe3Al and its grain boundary Σ5(310) [001] with Ti and Zr additions using ab initio methods by taking into account the effect of temperature. (Doctoral Dissertation). Université de Lorraine. Retrieved from http://www.theses.fr/2012LORR0173

Chicago Manual of Style (16th Edition):

Chentouf, Sara. “Étude du comportement de Fe3Al et son joint de grains Σ5(310)[001] en présence de Ti et Zr par méthodes ab initio avec prise en compte de l'effet de la température : Study of the behavior of Fe3Al and its grain boundary Σ5(310) [001] with Ti and Zr additions using ab initio methods by taking into account the effect of temperature.” 2012. Doctoral Dissertation, Université de Lorraine. Accessed January 27, 2020. http://www.theses.fr/2012LORR0173.

MLA Handbook (7th Edition):

Chentouf, Sara. “Étude du comportement de Fe3Al et son joint de grains Σ5(310)[001] en présence de Ti et Zr par méthodes ab initio avec prise en compte de l'effet de la température : Study of the behavior of Fe3Al and its grain boundary Σ5(310) [001] with Ti and Zr additions using ab initio methods by taking into account the effect of temperature.” 2012. Web. 27 Jan 2020.

Vancouver:

Chentouf S. Étude du comportement de Fe3Al et son joint de grains Σ5(310)[001] en présence de Ti et Zr par méthodes ab initio avec prise en compte de l'effet de la température : Study of the behavior of Fe3Al and its grain boundary Σ5(310) [001] with Ti and Zr additions using ab initio methods by taking into account the effect of temperature. [Internet] [Doctoral dissertation]. Université de Lorraine; 2012. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2012LORR0173.

Council of Science Editors:

Chentouf S. Étude du comportement de Fe3Al et son joint de grains Σ5(310)[001] en présence de Ti et Zr par méthodes ab initio avec prise en compte de l'effet de la température : Study of the behavior of Fe3Al and its grain boundary Σ5(310) [001] with Ti and Zr additions using ab initio methods by taking into account the effect of temperature. [Doctoral Dissertation]. Université de Lorraine; 2012. Available from: http://www.theses.fr/2012LORR0173

6. Pham, Thanh Tung. Multiscale modelling and simulation of slip boundary conditions at fluid-solid interfaces : Modélisation multi-échelle et simulations de conditions de glissement dynamique sur des interfaces fluide-solide.

Degree: Docteur es, Mécanique des fluides, 2013, Université Paris-Est

 Dans la plupart des applications concernant un fluide s'écoulant sur une surface solide, la condition de non-glissement est largement utilisée car elle est simple et… (more)

Subjects/Keywords: Simulations de dynamique moléculaire; Calculs ab-initio; Microfluidique; Effets de glissement; Coefficients d'accommodation; Scattering kernel; Molecular dynamics simulations; Ab-initio calculation; Microfluidics; Slip effect; Accommodation coefficients; Scattering kernel

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Pham, T. T. (2013). Multiscale modelling and simulation of slip boundary conditions at fluid-solid interfaces : Modélisation multi-échelle et simulations de conditions de glissement dynamique sur des interfaces fluide-solide. (Doctoral Dissertation). Université Paris-Est. Retrieved from http://www.theses.fr/2013PEST1138

Chicago Manual of Style (16th Edition):

Pham, Thanh Tung. “Multiscale modelling and simulation of slip boundary conditions at fluid-solid interfaces : Modélisation multi-échelle et simulations de conditions de glissement dynamique sur des interfaces fluide-solide.” 2013. Doctoral Dissertation, Université Paris-Est. Accessed January 27, 2020. http://www.theses.fr/2013PEST1138.

MLA Handbook (7th Edition):

Pham, Thanh Tung. “Multiscale modelling and simulation of slip boundary conditions at fluid-solid interfaces : Modélisation multi-échelle et simulations de conditions de glissement dynamique sur des interfaces fluide-solide.” 2013. Web. 27 Jan 2020.

Vancouver:

Pham TT. Multiscale modelling and simulation of slip boundary conditions at fluid-solid interfaces : Modélisation multi-échelle et simulations de conditions de glissement dynamique sur des interfaces fluide-solide. [Internet] [Doctoral dissertation]. Université Paris-Est; 2013. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2013PEST1138.

Council of Science Editors:

Pham TT. Multiscale modelling and simulation of slip boundary conditions at fluid-solid interfaces : Modélisation multi-échelle et simulations de conditions de glissement dynamique sur des interfaces fluide-solide. [Doctoral Dissertation]. Université Paris-Est; 2013. Available from: http://www.theses.fr/2013PEST1138

7. Amoroso, Danila. Étude ab-initio de solutions solides piézoélectriques (Ba,Ca)TiO3-Ba(Ti,Zr)O3 : First-principles study of piezoelectric (Ba,Ca)TiO3-Ba(Ti,Zr)O3 solid solutions.

Degree: Docteur es, Physico-Chimie de la Matière Condensée, 2018, Bordeaux; Université de Liège

Les piézoélectriques à haute performance sont des composants clés pour les dispositifs agiles. Il a été démontré récemment que les solutions solides (Ba,Ca)(Ti,Zr)O3 (BCTZ) présentent… (more)

Subjects/Keywords: Composés sans plomb; Piézoélectricité; Ferroélectricité; Dynamique du réseau; Calcul ab-Initio; Lead-Free compounds; Piezoelectricity; Ferroelectricity; Lattice dynamics; Ab-initio calculations; 537.244 8

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Amoroso, D. (2018). Étude ab-initio de solutions solides piézoélectriques (Ba,Ca)TiO3-Ba(Ti,Zr)O3 : First-principles study of piezoelectric (Ba,Ca)TiO3-Ba(Ti,Zr)O3 solid solutions. (Doctoral Dissertation). Bordeaux; Université de Liège. Retrieved from http://www.theses.fr/2018BORD0163

Chicago Manual of Style (16th Edition):

Amoroso, Danila. “Étude ab-initio de solutions solides piézoélectriques (Ba,Ca)TiO3-Ba(Ti,Zr)O3 : First-principles study of piezoelectric (Ba,Ca)TiO3-Ba(Ti,Zr)O3 solid solutions.” 2018. Doctoral Dissertation, Bordeaux; Université de Liège. Accessed January 27, 2020. http://www.theses.fr/2018BORD0163.

MLA Handbook (7th Edition):

Amoroso, Danila. “Étude ab-initio de solutions solides piézoélectriques (Ba,Ca)TiO3-Ba(Ti,Zr)O3 : First-principles study of piezoelectric (Ba,Ca)TiO3-Ba(Ti,Zr)O3 solid solutions.” 2018. Web. 27 Jan 2020.

Vancouver:

Amoroso D. Étude ab-initio de solutions solides piézoélectriques (Ba,Ca)TiO3-Ba(Ti,Zr)O3 : First-principles study of piezoelectric (Ba,Ca)TiO3-Ba(Ti,Zr)O3 solid solutions. [Internet] [Doctoral dissertation]. Bordeaux; Université de Liège; 2018. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2018BORD0163.

Council of Science Editors:

Amoroso D. Étude ab-initio de solutions solides piézoélectriques (Ba,Ca)TiO3-Ba(Ti,Zr)O3 : First-principles study of piezoelectric (Ba,Ca)TiO3-Ba(Ti,Zr)O3 solid solutions. [Doctoral Dissertation]. Bordeaux; Université de Liège; 2018. Available from: http://www.theses.fr/2018BORD0163

8. Bouëssel du Bourg, Lila. Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics.

Degree: Docteur es, Chimie, 2017, Rennes 1

Ce travail de thèse est consacré à la rationalisation de verres de tellure, au fort potentiel applicatif. Les résultats ont été obtenus en utilisant la… (more)

Subjects/Keywords: Verres de chalcogénure; Tellure; Dynamique moléculaire ab initio; Car-Parrinello; Résonance Magnétique Nucléaire; GIPAW; Chalcogenide glasses; Tellurium; Ab initio molecular dynamics; Car-Parrinello; Nuclear Magnetic Resonance; GIPAW

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Bouëssel du Bourg, L. (2017). Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics. (Doctoral Dissertation). Rennes 1. Retrieved from http://www.theses.fr/2017REN1S100

Chicago Manual of Style (16th Edition):

Bouëssel du Bourg, Lila. “Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics.” 2017. Doctoral Dissertation, Rennes 1. Accessed January 27, 2020. http://www.theses.fr/2017REN1S100.

MLA Handbook (7th Edition):

Bouëssel du Bourg, Lila. “Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics.” 2017. Web. 27 Jan 2020.

Vancouver:

Bouëssel du Bourg L. Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics. [Internet] [Doctoral dissertation]. Rennes 1; 2017. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2017REN1S100.

Council of Science Editors:

Bouëssel du Bourg L. Modélisation de verres de tellure, matériaux pour l’optique infrarouge : Rationalisation of telluride glasses structure, infra-red permeable materials, by ab initio molecular dynamics. [Doctoral Dissertation]. Rennes 1; 2017. Available from: http://www.theses.fr/2017REN1S100

9. Delange, Pascal. Many-electron effects in transition metal and rare earth compounds : Electronic structure, magnetic properties and point defects from first principles : Physique à N corps des électrons dans les composés de métaux de transition et de terres rares : Structure électronique, propriétés magnétiques et défauts cristallins ponctuels à partir des premiers principes.

Degree: Docteur es, Physique, 2017, Paris Saclay

 Le sujet de cette thèse est la théorie à partir des premiers principes de la structure électronique de matériaux présentant de fortes corrélations électroniques. D’importants… (more)

Subjects/Keywords: Structure électronique; Électrons corrélés; Physique à N corps; Calculs ab initio; Théorie du champ moyen dynamique; Electronic structure; Correlated electrons; Many-Body physics; Ab initio calculations; Dynamical mean field theory

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Delange, P. (2017). Many-electron effects in transition metal and rare earth compounds : Electronic structure, magnetic properties and point defects from first principles : Physique à N corps des électrons dans les composés de métaux de transition et de terres rares : Structure électronique, propriétés magnétiques et défauts cristallins ponctuels à partir des premiers principes. (Doctoral Dissertation). Paris Saclay. Retrieved from http://www.theses.fr/2017SACLX040

Chicago Manual of Style (16th Edition):

Delange, Pascal. “Many-electron effects in transition metal and rare earth compounds : Electronic structure, magnetic properties and point defects from first principles : Physique à N corps des électrons dans les composés de métaux de transition et de terres rares : Structure électronique, propriétés magnétiques et défauts cristallins ponctuels à partir des premiers principes.” 2017. Doctoral Dissertation, Paris Saclay. Accessed January 27, 2020. http://www.theses.fr/2017SACLX040.

MLA Handbook (7th Edition):

Delange, Pascal. “Many-electron effects in transition metal and rare earth compounds : Electronic structure, magnetic properties and point defects from first principles : Physique à N corps des électrons dans les composés de métaux de transition et de terres rares : Structure électronique, propriétés magnétiques et défauts cristallins ponctuels à partir des premiers principes.” 2017. Web. 27 Jan 2020.

Vancouver:

Delange P. Many-electron effects in transition metal and rare earth compounds : Electronic structure, magnetic properties and point defects from first principles : Physique à N corps des électrons dans les composés de métaux de transition et de terres rares : Structure électronique, propriétés magnétiques et défauts cristallins ponctuels à partir des premiers principes. [Internet] [Doctoral dissertation]. Paris Saclay; 2017. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2017SACLX040.

Council of Science Editors:

Delange P. Many-electron effects in transition metal and rare earth compounds : Electronic structure, magnetic properties and point defects from first principles : Physique à N corps des électrons dans les composés de métaux de transition et de terres rares : Structure électronique, propriétés magnétiques et défauts cristallins ponctuels à partir des premiers principes. [Doctoral Dissertation]. Paris Saclay; 2017. Available from: http://www.theses.fr/2017SACLX040

10. Martin, Nicolas. Composite C/C à matrice nanochargée en alumine et en nitrure d'aluminium : C/C composites with alumina and aluminium nitride nanocharged matrix.

Degree: Docteur es, Physico-Chimie de la Matière Condensée, 2014, Bordeaux

Un procédé de synthèse de dépôts nanostructurés de céramiques à bases d’aluminium au sein de composites carbone/carbone (C/C) est développé. Il consiste à synthétiser à… (more)

Subjects/Keywords: Carbone; Composites C/C; Nanostructures; Alumine; Nitrure d'aluminium; Dynamique moléculaire ab initio; Carbon; C/C composite; Nanostructures; Alumina; Aluminum nitride; Ab initio molecular dynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Martin, N. (2014). Composite C/C à matrice nanochargée en alumine et en nitrure d'aluminium : C/C composites with alumina and aluminium nitride nanocharged matrix. (Doctoral Dissertation). Bordeaux. Retrieved from http://www.theses.fr/2014BORD0237

Chicago Manual of Style (16th Edition):

Martin, Nicolas. “Composite C/C à matrice nanochargée en alumine et en nitrure d'aluminium : C/C composites with alumina and aluminium nitride nanocharged matrix.” 2014. Doctoral Dissertation, Bordeaux. Accessed January 27, 2020. http://www.theses.fr/2014BORD0237.

MLA Handbook (7th Edition):

Martin, Nicolas. “Composite C/C à matrice nanochargée en alumine et en nitrure d'aluminium : C/C composites with alumina and aluminium nitride nanocharged matrix.” 2014. Web. 27 Jan 2020.

Vancouver:

Martin N. Composite C/C à matrice nanochargée en alumine et en nitrure d'aluminium : C/C composites with alumina and aluminium nitride nanocharged matrix. [Internet] [Doctoral dissertation]. Bordeaux; 2014. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2014BORD0237.

Council of Science Editors:

Martin N. Composite C/C à matrice nanochargée en alumine et en nitrure d'aluminium : C/C composites with alumina and aluminium nitride nanocharged matrix. [Doctoral Dissertation]. Bordeaux; 2014. Available from: http://www.theses.fr/2014BORD0237

11. Rey, Jérôme. Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics : Mécanismes et cinétique de l’isomérisation et du craquage d’alcènes dans la zéolithe chabazite quantifiés par dynamique moléculaire ab initio contrainte.

Degree: Docteur es, Chimie, 2019, Lyon

Les catalyseurs d’hydrocraquage et d’hydroisomérization sont bifonctionnels, avec une fonction hydro-déshydrogénante et une fonction acide, une zéolithe protonée, pour isomériser et craquer les alcènes. Par… (more)

Subjects/Keywords: Zéolithe; DFT; Dynamique moléculaire ab initio; Cyclopropane protoné; Cinétique; Hydroisomérisation; Craquage; Zeolite; DFT; Ab initio molecular dynamics; Protonated cyclopropane; Kinetics; Hydroisomerization; Cracking

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Rey, J. (2019). Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics : Mécanismes et cinétique de l’isomérisation et du craquage d’alcènes dans la zéolithe chabazite quantifiés par dynamique moléculaire ab initio contrainte. (Doctoral Dissertation). Lyon. Retrieved from http://www.theses.fr/2019LYSEN049

Chicago Manual of Style (16th Edition):

Rey, Jérôme. “Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics : Mécanismes et cinétique de l’isomérisation et du craquage d’alcènes dans la zéolithe chabazite quantifiés par dynamique moléculaire ab initio contrainte.” 2019. Doctoral Dissertation, Lyon. Accessed January 27, 2020. http://www.theses.fr/2019LYSEN049.

MLA Handbook (7th Edition):

Rey, Jérôme. “Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics : Mécanismes et cinétique de l’isomérisation et du craquage d’alcènes dans la zéolithe chabazite quantifiés par dynamique moléculaire ab initio contrainte.” 2019. Web. 27 Jan 2020.

Vancouver:

Rey J. Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics : Mécanismes et cinétique de l’isomérisation et du craquage d’alcènes dans la zéolithe chabazite quantifiés par dynamique moléculaire ab initio contrainte. [Internet] [Doctoral dissertation]. Lyon; 2019. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2019LYSEN049.

Council of Science Editors:

Rey J. Mechanisms and kinetics of alkenes isomerization and cracking in chabazite zeolite quantified by constrained ab initio molecular dynamics : Mécanismes et cinétique de l’isomérisation et du craquage d’alcènes dans la zéolithe chabazite quantifiés par dynamique moléculaire ab initio contrainte. [Doctoral Dissertation]. Lyon; 2019. Available from: http://www.theses.fr/2019LYSEN049

12. Despré, Victor. Dynamique électronique à l'échelle attoseconde et femtoseconde en physique moléculaire : une approche ab-initio : Electron dynamics at attosecond and femtosecond time scale in molecular physics : an ab-initio approach.

Degree: Docteur es, Physique, 2015, Université Claude Bernard – Lyon I

L'avènement de la physique attoseconde a amené de nouveaux challenges tant expérimentaux que théoriques. En effet, l'observation de processus dynamiques, intervenant aux échelles de temps… (more)

Subjects/Keywords: Dynamique électronique; Attoseconde; Femtoseconde; Corrélation électronique; Couplage vibronique; Migration de charge; Ab-initio; Photoionisation; Dynamic electronic; Attoseconde; Femtoseconde; Electronic correlation; Vibronic coupling; Charge migration; Ab-initio; Photoionization; 537.5

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Despré, V. (2015). Dynamique électronique à l'échelle attoseconde et femtoseconde en physique moléculaire : une approche ab-initio : Electron dynamics at attosecond and femtosecond time scale in molecular physics : an ab-initio approach. (Doctoral Dissertation). Université Claude Bernard – Lyon I. Retrieved from http://www.theses.fr/2015LYO10142

Chicago Manual of Style (16th Edition):

Despré, Victor. “Dynamique électronique à l'échelle attoseconde et femtoseconde en physique moléculaire : une approche ab-initio : Electron dynamics at attosecond and femtosecond time scale in molecular physics : an ab-initio approach.” 2015. Doctoral Dissertation, Université Claude Bernard – Lyon I. Accessed January 27, 2020. http://www.theses.fr/2015LYO10142.

MLA Handbook (7th Edition):

Despré, Victor. “Dynamique électronique à l'échelle attoseconde et femtoseconde en physique moléculaire : une approche ab-initio : Electron dynamics at attosecond and femtosecond time scale in molecular physics : an ab-initio approach.” 2015. Web. 27 Jan 2020.

Vancouver:

Despré V. Dynamique électronique à l'échelle attoseconde et femtoseconde en physique moléculaire : une approche ab-initio : Electron dynamics at attosecond and femtosecond time scale in molecular physics : an ab-initio approach. [Internet] [Doctoral dissertation]. Université Claude Bernard – Lyon I; 2015. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2015LYO10142.

Council of Science Editors:

Despré V. Dynamique électronique à l'échelle attoseconde et femtoseconde en physique moléculaire : une approche ab-initio : Electron dynamics at attosecond and femtosecond time scale in molecular physics : an ab-initio approach. [Doctoral Dissertation]. Université Claude Bernard – Lyon I; 2015. Available from: http://www.theses.fr/2015LYO10142


INP Toulouse

13. Wang, Yu. Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies : Etude ab intio des interactions hydrogènes-défauts dans les métaux cfc : cas des lacunes et des dislocations en pointe de fissure.

Degree: Docteur es, Science et Génie des Matériaux, 2014, INP Toulouse

 Dans de nombreuses applications technologiques des alliages métalliques structurés, la fragilisation par l'hydrogène (HE) est une préoccupation majeure car elle peut pénétrer dans la plupart… (more)

Subjects/Keywords: Fragilisation H; Dynamique moléculaire; Ab initiio; Monte Carlo; Lacunes; Dislocation; Fissure; Ni; Al; H embrittlement; Ab initio; Molecular Dynamique; Monte Carlo; Vacancies; Dislocation; Crack; Ni; Al

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Wang, Y. (2014). Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies : Etude ab intio des interactions hydrogènes-défauts dans les métaux cfc : cas des lacunes et des dislocations en pointe de fissure. (Doctoral Dissertation). INP Toulouse. Retrieved from http://www.theses.fr/2014INPT0125

Chicago Manual of Style (16th Edition):

Wang, Yu. “Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies : Etude ab intio des interactions hydrogènes-défauts dans les métaux cfc : cas des lacunes et des dislocations en pointe de fissure.” 2014. Doctoral Dissertation, INP Toulouse. Accessed January 27, 2020. http://www.theses.fr/2014INPT0125.

MLA Handbook (7th Edition):

Wang, Yu. “Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies : Etude ab intio des interactions hydrogènes-défauts dans les métaux cfc : cas des lacunes et des dislocations en pointe de fissure.” 2014. Web. 27 Jan 2020.

Vancouver:

Wang Y. Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies : Etude ab intio des interactions hydrogènes-défauts dans les métaux cfc : cas des lacunes et des dislocations en pointe de fissure. [Internet] [Doctoral dissertation]. INP Toulouse; 2014. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2014INPT0125.

Council of Science Editors:

Wang Y. Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies : Etude ab intio des interactions hydrogènes-défauts dans les métaux cfc : cas des lacunes et des dislocations en pointe de fissure. [Doctoral Dissertation]. INP Toulouse; 2014. Available from: http://www.theses.fr/2014INPT0125

14. Baroni, Axelle. Etude structurale de B2O3 à l'aide de simulations de dynamique moléculaire incluant des potentiels polarisables : Structural study of B2O3 thanks to molecular dynamics simulations including polarisable potentials.

Degree: Docteur es, Physique, 2015, Université Pierre et Marie Curie – Paris VI

Le trioxyde de bore, B2O3, est l'archétype du système formateur de verre avec une unité structurale de base trigonale sous conditions ambiantes. Cette propriété confère… (more)

Subjects/Keywords: Dynamique moléculaire; Trioxyde de bore; Potentiels polarisables; Anneaux boroxol; Ab-Initio; Formateur de réseaux; Molecular dynamics; Polarisable potentials; 530

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Baroni, A. (2015). Etude structurale de B2O3 à l'aide de simulations de dynamique moléculaire incluant des potentiels polarisables : Structural study of B2O3 thanks to molecular dynamics simulations including polarisable potentials. (Doctoral Dissertation). Université Pierre et Marie Curie – Paris VI. Retrieved from http://www.theses.fr/2015PA066265

Chicago Manual of Style (16th Edition):

Baroni, Axelle. “Etude structurale de B2O3 à l'aide de simulations de dynamique moléculaire incluant des potentiels polarisables : Structural study of B2O3 thanks to molecular dynamics simulations including polarisable potentials.” 2015. Doctoral Dissertation, Université Pierre et Marie Curie – Paris VI. Accessed January 27, 2020. http://www.theses.fr/2015PA066265.

MLA Handbook (7th Edition):

Baroni, Axelle. “Etude structurale de B2O3 à l'aide de simulations de dynamique moléculaire incluant des potentiels polarisables : Structural study of B2O3 thanks to molecular dynamics simulations including polarisable potentials.” 2015. Web. 27 Jan 2020.

Vancouver:

Baroni A. Etude structurale de B2O3 à l'aide de simulations de dynamique moléculaire incluant des potentiels polarisables : Structural study of B2O3 thanks to molecular dynamics simulations including polarisable potentials. [Internet] [Doctoral dissertation]. Université Pierre et Marie Curie – Paris VI; 2015. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2015PA066265.

Council of Science Editors:

Baroni A. Etude structurale de B2O3 à l'aide de simulations de dynamique moléculaire incluant des potentiels polarisables : Structural study of B2O3 thanks to molecular dynamics simulations including polarisable potentials. [Doctoral Dissertation]. Université Pierre et Marie Curie – Paris VI; 2015. Available from: http://www.theses.fr/2015PA066265


University of Georgia

15. Li, Chenyang. Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group.

Degree: PhD, Chemistry, 2015, University of Georgia

Ab initio quantum chemistry has evolved into a matured field, with tools capable of providing reliable predictions of molecular properties. Notwithstanding the progress, much effort… (more)

Subjects/Keywords: ab initio quantum chemistry

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Li, C. (2015). Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd

Chicago Manual of Style (16th Edition):

Li, Chenyang. “Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group.” 2015. Doctoral Dissertation, University of Georgia. Accessed January 27, 2020. http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd.

MLA Handbook (7th Edition):

Li, Chenyang. “Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group.” 2015. Web. 27 Jan 2020.

Vancouver:

Li C. Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group. [Internet] [Doctoral dissertation]. University of Georgia; 2015. [cited 2020 Jan 27]. Available from: http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd.

Council of Science Editors:

Li C. Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group. [Doctoral Dissertation]. University of Georgia; 2015. Available from: http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd


Universidade de Brasília

16. 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 January 27, 2020. 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. 27 Jan 2020.

Vancouver:

Castro EASd. Estudo teórico da adsorção em aluminossilicatos. [Internet] [Thesis]. Universidade de Brasília; 2007. [cited 2020 Jan 27]. 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


University of Georgia

17. Mullinax, Jimmy Wayne. On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4.

Degree: PhD, Chemistry, 2016, University of Georgia

 The performance of density cumulant functional theory (DCT) for capturing static correlation effects is reported and discussed. In this respect, DCT is competitive with the… (more)

Subjects/Keywords: ab initio quantum chemistry

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Mullinax, J. W. (2016). On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd

Chicago Manual of Style (16th Edition):

Mullinax, Jimmy Wayne. “On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4.” 2016. Doctoral Dissertation, University of Georgia. Accessed January 27, 2020. http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd.

MLA Handbook (7th Edition):

Mullinax, Jimmy Wayne. “On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4.” 2016. Web. 27 Jan 2020.

Vancouver:

Mullinax JW. On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4. [Internet] [Doctoral dissertation]. University of Georgia; 2016. [cited 2020 Jan 27]. Available from: http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd.

Council of Science Editors:

Mullinax JW. On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4. [Doctoral Dissertation]. University of Georgia; 2016. Available from: http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd


Penn State University

18. Morrow, Christin Palombo. A Computational Study of the Dissolution of Aluminosilicate Minerals.

Degree: MS, Chemistry, 2008, Penn State University

 The reactions of aluminosilicate clusters with water are investigated using ab-initio calculations. Reaction mechanisms for silicon terminated, Si-Obr-Al, sites as well as aluminum terminated, Al-Obr-Si,… (more)

Subjects/Keywords: aluminosilicate; ab-initio; mechanism; dissolution

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Morrow, C. P. (2008). A Computational Study of the Dissolution of Aluminosilicate Minerals. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9077

Chicago Manual of Style (16th Edition):

Morrow, Christin Palombo. “A Computational Study of the Dissolution of Aluminosilicate Minerals.” 2008. Masters Thesis, Penn State University. Accessed January 27, 2020. https://etda.libraries.psu.edu/catalog/9077.

MLA Handbook (7th Edition):

Morrow, Christin Palombo. “A Computational Study of the Dissolution of Aluminosilicate Minerals.” 2008. Web. 27 Jan 2020.

Vancouver:

Morrow CP. A Computational Study of the Dissolution of Aluminosilicate Minerals. [Internet] [Masters thesis]. Penn State University; 2008. [cited 2020 Jan 27]. Available from: https://etda.libraries.psu.edu/catalog/9077.

Council of Science Editors:

Morrow CP. A Computational Study of the Dissolution of Aluminosilicate Minerals. [Masters Thesis]. Penn State University; 2008. Available from: https://etda.libraries.psu.edu/catalog/9077


Cornell University

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

Degree: 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 . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/37083

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):

Schwarz, Kathleen. “Partitioning Molecular And Surface Environments: Practice And Approximations .” 2014. Thesis, Cornell University. Accessed January 27, 2020. http://hdl.handle.net/1813/37083.

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

MLA Handbook (7th Edition):

Schwarz, Kathleen. “Partitioning Molecular And Surface Environments: Practice And Approximations .” 2014. Web. 27 Jan 2020.

Vancouver:

Schwarz K. Partitioning Molecular And Surface Environments: Practice And Approximations . [Internet] [Thesis]. Cornell University; 2014. [cited 2020 Jan 27]. Available from: http://hdl.handle.net/1813/37083.

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

Council of Science Editors:

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

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


Mississippi State University

20. Collier, Willard Earl. A COMPUTATIONAL INVESTIGATION OF SOME POLYCALICENES AS NOVEL NONBENZENOID AROMATIC MOLECULES AND THE STRANGE CASE OF THE CYCLOPROPENYL ANION.

Degree: PhD, Chemistry, 2009, Mississippi State University

  Polycalicenes are novel nonbenzenoid aromatic hydrocarbons made from calicene subunits. A host of related polycalicenes are possible by varying the number of calicenes and… (more)

Subjects/Keywords: aromaticity; NICS; ab initio

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Collier, W. E. (2009). A COMPUTATIONAL INVESTIGATION OF SOME POLYCALICENES AS NOVEL NONBENZENOID AROMATIC MOLECULES AND THE STRANGE CASE OF THE CYCLOPROPENYL ANION. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-04022009-213437/ ;

Chicago Manual of Style (16th Edition):

Collier, Willard Earl. “A COMPUTATIONAL INVESTIGATION OF SOME POLYCALICENES AS NOVEL NONBENZENOID AROMATIC MOLECULES AND THE STRANGE CASE OF THE CYCLOPROPENYL ANION.” 2009. Doctoral Dissertation, Mississippi State University. Accessed January 27, 2020. http://sun.library.msstate.edu/ETD-db/theses/available/etd-04022009-213437/ ;.

MLA Handbook (7th Edition):

Collier, Willard Earl. “A COMPUTATIONAL INVESTIGATION OF SOME POLYCALICENES AS NOVEL NONBENZENOID AROMATIC MOLECULES AND THE STRANGE CASE OF THE CYCLOPROPENYL ANION.” 2009. Web. 27 Jan 2020.

Vancouver:

Collier WE. A COMPUTATIONAL INVESTIGATION OF SOME POLYCALICENES AS NOVEL NONBENZENOID AROMATIC MOLECULES AND THE STRANGE CASE OF THE CYCLOPROPENYL ANION. [Internet] [Doctoral dissertation]. Mississippi State University; 2009. [cited 2020 Jan 27]. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04022009-213437/ ;.

Council of Science Editors:

Collier WE. A COMPUTATIONAL INVESTIGATION OF SOME POLYCALICENES AS NOVEL NONBENZENOID AROMATIC MOLECULES AND THE STRANGE CASE OF THE CYCLOPROPENYL ANION. [Doctoral Dissertation]. Mississippi State University; 2009. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-04022009-213437/ ;


Université Paris-Sud – Paris XI

21. Awali, Slim. Dynamique de relaxation électronique d’un atome métallique déposé sur agrégat d’argon : Electronic relaxation dynamics of a metal atom deposited on argon cluster.

Degree: Docteur es, Chimie physique, 2014, Université Paris-Sud – Paris XI

Ce travail de thèse est une recherche sur l'interaction entre des états atomiques excités électroniquement et un environnement non réactif. Nous avons étudié théoriquement et… (more)

Subjects/Keywords: Dynamique moléculaire; Méthode ab-initio; Chimie quantique; Pseudopotentiel; Optimisation des structures; Dynamique réactionnelle; Spectroscopie d'absorption; Femtochimie; Métaux; Molecular dynamics; Ab initio method; Quantum chemistry; Pseudopotential; Optimization of the structures; Reactional Dynamics; Absorption spectroscopy; Femtochemistry; Metals

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Awali, S. (2014). Dynamique de relaxation électronique d’un atome métallique déposé sur agrégat d’argon : Electronic relaxation dynamics of a metal atom deposited on argon cluster. (Doctoral Dissertation). Université Paris-Sud – Paris XI. Retrieved from http://www.theses.fr/2014PA112013

Chicago Manual of Style (16th Edition):

Awali, Slim. “Dynamique de relaxation électronique d’un atome métallique déposé sur agrégat d’argon : Electronic relaxation dynamics of a metal atom deposited on argon cluster.” 2014. Doctoral Dissertation, Université Paris-Sud – Paris XI. Accessed January 27, 2020. http://www.theses.fr/2014PA112013.

MLA Handbook (7th Edition):

Awali, Slim. “Dynamique de relaxation électronique d’un atome métallique déposé sur agrégat d’argon : Electronic relaxation dynamics of a metal atom deposited on argon cluster.” 2014. Web. 27 Jan 2020.

Vancouver:

Awali S. Dynamique de relaxation électronique d’un atome métallique déposé sur agrégat d’argon : Electronic relaxation dynamics of a metal atom deposited on argon cluster. [Internet] [Doctoral dissertation]. Université Paris-Sud – Paris XI; 2014. [cited 2020 Jan 27]. Available from: http://www.theses.fr/2014PA112013.

Council of Science Editors:

Awali S. Dynamique de relaxation électronique d’un atome métallique déposé sur agrégat d’argon : Electronic relaxation dynamics of a metal atom deposited on argon cluster. [Doctoral Dissertation]. Université Paris-Sud – Paris XI; 2014. Available from: http://www.theses.fr/2014PA112013


Université de Montréal

22. Thomas, Vibin. Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study .

Degree: 2013, Université de Montréal

 La nature des acides dans un environnement aqueux est primordiale dans de nombreux aspects de la chimie et de la biologie. La caractéristique principale d'un… (more)

Subjects/Keywords: Dynamique moléculaire ab initio; Dynamique moléculaire centroide ab initio; Transfert de protons; Intermédiaires de réaction dans un transfert de protons; Réactions acide-base; Dissociation d’acides; Intermédiaires de réaction dans une dissociation d’acide; Transformée par wavelettes; Spectroscopie infrarouge; Ab initio Molecular Dynamics; Ab initio Centroid Molecular Dynamics; Proton Transfer; Proton Transfer Intermediates; Acid-Base Reaction; Acid Dissociation; Acid dissociation Intermediates; Wavelet Trasform; Infrared Spectroscopy

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Thomas, V. (2013). Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study . (Thesis). Université de Montréal. Retrieved from http://hdl.handle.net/1866/9116

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):

Thomas, Vibin. “Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study .” 2013. Thesis, Université de Montréal. Accessed January 27, 2020. http://hdl.handle.net/1866/9116.

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

MLA Handbook (7th Edition):

Thomas, Vibin. “Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study .” 2013. Web. 27 Jan 2020.

Vancouver:

Thomas V. Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study . [Internet] [Thesis]. Université de Montréal; 2013. [cited 2020 Jan 27]. Available from: http://hdl.handle.net/1866/9116.

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

Council of Science Editors:

Thomas V. Elementary steps in aqueous proton transfer reactions : a first principles molecular dynamics study . [Thesis]. Université de Montréal; 2013. Available from: http://hdl.handle.net/1866/9116

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

23. 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 January 27, 2020. 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. 27 Jan 2020.

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 2020 Jan 27]. 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

24. 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 January 27, 2020. 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. 27 Jan 2020.

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 2020 Jan 27]. 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

25. 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 January 27, 2020. 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. 27 Jan 2020.

Vancouver:

CORTEZ AH. PROPRIEDADES ELETRÔNICAS DE NANOFIOS DE SI-GE COM SEQUENCIAMENTO DE FIBONACCI E RANDÔMICO. [Internet] [Thesis]. Universidade Federal do Maranhão; 2012. [cited 2020 Jan 27]. 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


Universidade do Rio Grande do Norte

26. 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 January 27, 2020. 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. 27 Jan 2020.

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 2020 Jan 27]. 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

27. 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, Paris Saclay

 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). Paris Saclay. 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, Paris Saclay. Accessed January 27, 2020. 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. 27 Jan 2020.

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]. Paris Saclay; 2016. [cited 2020 Jan 27]. 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]. Paris Saclay; 2016. Available from: http://www.theses.fr/2016SACLX110

28. 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 January 27, 2020. 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. 27 Jan 2020.

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 2020 Jan 27]. 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

29. 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 January 27, 2020. http://www.theses.fr/2012PEST1147.

MLA Handbook (7th Edition):

Maatouk, Amira. “Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters.” 2012. Web. 27 Jan 2020.

Vancouver:

Maatouk A. Étude de la croissance des nanotubes de carbone catalysée par le fer : Structures and properties of small iron-doped carbon clusters. [Internet] [Doctoral dissertation]. Université Paris-Est; 2012. [cited 2020 Jan 27]. 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

30. 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, Paris Saclay

 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). Paris Saclay. 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, Paris Saclay. Accessed January 27, 2020. 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. 27 Jan 2020.

Vancouver:

Iagupov I. Numerical design of meta-materials for photovoltaic applications : Design numérique de métamatériaux pour des applications photovoltaïques. [Internet] [Doctoral dissertation]. Paris Saclay; 2018. [cited 2020 Jan 27]. 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]. Paris Saclay; 2018. Available from: http://www.theses.fr/2018SACLX117

[1] [2] [3] [4] [5] … [138]

.