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You searched for subject:(Ab initio calculation). Showing records 1 – 30 of 41 total matches.

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1. 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

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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 September 21, 2020. 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 Sep 2020.

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 2020 Sep 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


Duquesne University

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Ziegler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Doctoral Dissertation, Duquesne University. Accessed September 21, 2020. https://dsc.duq.edu/etd/1414.

MLA Handbook (7th Edition):

Ziegler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Web. 21 Sep 2020.

Vancouver:

Ziegler M. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. [Internet] [Doctoral dissertation]. Duquesne University; 2011. [cited 2020 Sep 21]. Available from: https://dsc.duq.edu/etd/1414.

Council of Science Editors:

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

3. Shi, Jingming. Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures : Étude ab initio des structures cristallines et de leurs propriétés électroniques : des conditions ambiantes jusqu’aux pressions extrêmes.

Degree: Docteur es, Physique, 2017, Lyon

 Dans cette thèse nous utilisons des méthodes globaux de prédiction des structures cristallographiques combinés à des techniques de grande capacité de traitement de données afin… (more)

Subjects/Keywords: Transitions de phase; Prédiction de structures; Calculs ab initio; Phase transitions; Structure prediction; Ab initio calculation

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APA (6th Edition):

Shi, J. (2017). Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures : Étude ab initio des structures cristallines et de leurs propriétés électroniques : des conditions ambiantes jusqu’aux pressions extrêmes. (Doctoral Dissertation). Lyon. Retrieved from http://www.theses.fr/2017LYSE1110

Chicago Manual of Style (16th Edition):

Shi, Jingming. “Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures : Étude ab initio des structures cristallines et de leurs propriétés électroniques : des conditions ambiantes jusqu’aux pressions extrêmes.” 2017. Doctoral Dissertation, Lyon. Accessed September 21, 2020. http://www.theses.fr/2017LYSE1110.

MLA Handbook (7th Edition):

Shi, Jingming. “Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures : Étude ab initio des structures cristallines et de leurs propriétés électroniques : des conditions ambiantes jusqu’aux pressions extrêmes.” 2017. Web. 21 Sep 2020.

Vancouver:

Shi J. Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures : Étude ab initio des structures cristallines et de leurs propriétés électroniques : des conditions ambiantes jusqu’aux pressions extrêmes. [Internet] [Doctoral dissertation]. Lyon; 2017. [cited 2020 Sep 21]. Available from: http://www.theses.fr/2017LYSE1110.

Council of Science Editors:

Shi J. Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures : Étude ab initio des structures cristallines et de leurs propriétés électroniques : des conditions ambiantes jusqu’aux pressions extrêmes. [Doctoral Dissertation]. Lyon; 2017. Available from: http://www.theses.fr/2017LYSE1110

4. Jiang, Ji. Modélisation quantique des agrégats d'hélium dopés : Quantum simulation of helium droplets with dopants.

Degree: Docteur es, Chimie, 2013, Université Paris-Est

La photo-dissociation d'une molécule comme CH3I dans l'agrégat d'hélium présente un grand intérêt pour comprendre la recombinaison et la solvatation des photo-fragments après la dissociation… (more)

Subjects/Keywords: Spectroscopie; Réactivité; Calcul ab initio; Monte Carlo quantique; Agrégats d'hélium; Spectroscopy; Reactivity; Ab initio calculation; Quantum Monte Carlo; Helium droplet

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APA (6th Edition):

Jiang, J. (2013). Modélisation quantique des agrégats d'hélium dopés : Quantum simulation of helium droplets with dopants. (Doctoral Dissertation). Université Paris-Est. Retrieved from http://www.theses.fr/2013PEST1030

Chicago Manual of Style (16th Edition):

Jiang, Ji. “Modélisation quantique des agrégats d'hélium dopés : Quantum simulation of helium droplets with dopants.” 2013. Doctoral Dissertation, Université Paris-Est. Accessed September 21, 2020. http://www.theses.fr/2013PEST1030.

MLA Handbook (7th Edition):

Jiang, Ji. “Modélisation quantique des agrégats d'hélium dopés : Quantum simulation of helium droplets with dopants.” 2013. Web. 21 Sep 2020.

Vancouver:

Jiang J. Modélisation quantique des agrégats d'hélium dopés : Quantum simulation of helium droplets with dopants. [Internet] [Doctoral dissertation]. Université Paris-Est; 2013. [cited 2020 Sep 21]. Available from: http://www.theses.fr/2013PEST1030.

Council of Science Editors:

Jiang J. Modélisation quantique des agrégats d'hélium dopés : Quantum simulation of helium droplets with dopants. [Doctoral Dissertation]. Université Paris-Est; 2013. Available from: http://www.theses.fr/2013PEST1030


North Carolina State University

5. Zhang, Yu. Ab Initio Electronic Structure Calculations For High-K Dielectrics.

Degree: PhD, Physics, 2005, North Carolina State University

 In current semiconductor industry, continuing improvement in the performance of MOSFET requires aggressive scaling down of the dimensions of CMOS devices. A better capacitance/unit area… (more)

Subjects/Keywords: ab initio calculation; high-k dielectrics

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APA (6th Edition):

Zhang, Y. (2005). Ab Initio Electronic Structure Calculations For High-K Dielectrics. (Doctoral Dissertation). North Carolina State University. Retrieved from http://www.lib.ncsu.edu/resolver/1840.16/5653

Chicago Manual of Style (16th Edition):

Zhang, Yu. “Ab Initio Electronic Structure Calculations For High-K Dielectrics.” 2005. Doctoral Dissertation, North Carolina State University. Accessed September 21, 2020. http://www.lib.ncsu.edu/resolver/1840.16/5653.

MLA Handbook (7th Edition):

Zhang, Yu. “Ab Initio Electronic Structure Calculations For High-K Dielectrics.” 2005. Web. 21 Sep 2020.

Vancouver:

Zhang Y. Ab Initio Electronic Structure Calculations For High-K Dielectrics. [Internet] [Doctoral dissertation]. North Carolina State University; 2005. [cited 2020 Sep 21]. Available from: http://www.lib.ncsu.edu/resolver/1840.16/5653.

Council of Science Editors:

Zhang Y. Ab Initio Electronic Structure Calculations For High-K Dielectrics. [Doctoral Dissertation]. North Carolina State University; 2005. Available from: http://www.lib.ncsu.edu/resolver/1840.16/5653

6. Albrecht, David. Simulation par éléments finis à partir de calculs ab-initio du comportement ferroélectrique : First-principles-based finite element computation of the ferroelectric behaviour.

Degree: Docteur es, Science des matériaux, 2010, Châtenay-Malabry, Ecole centrale de Paris

Les propriétés des matériaux ferroélectriques proviennent principalement de l’influencedes conditions aux limites et des déformations sur la polarisation. Cette influence est encoreplus grande à de… (more)

Subjects/Keywords: Éléments-finis; Hamiltonien effectif; Ab-initio; Finite-element; Effective Hamiltonian; First-principles-based calculation

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APA (6th Edition):

Albrecht, D. (2010). Simulation par éléments finis à partir de calculs ab-initio du comportement ferroélectrique : First-principles-based finite element computation of the ferroelectric behaviour. (Doctoral Dissertation). Châtenay-Malabry, Ecole centrale de Paris. Retrieved from http://www.theses.fr/2010ECAP0007

Chicago Manual of Style (16th Edition):

Albrecht, David. “Simulation par éléments finis à partir de calculs ab-initio du comportement ferroélectrique : First-principles-based finite element computation of the ferroelectric behaviour.” 2010. Doctoral Dissertation, Châtenay-Malabry, Ecole centrale de Paris. Accessed September 21, 2020. http://www.theses.fr/2010ECAP0007.

MLA Handbook (7th Edition):

Albrecht, David. “Simulation par éléments finis à partir de calculs ab-initio du comportement ferroélectrique : First-principles-based finite element computation of the ferroelectric behaviour.” 2010. Web. 21 Sep 2020.

Vancouver:

Albrecht D. Simulation par éléments finis à partir de calculs ab-initio du comportement ferroélectrique : First-principles-based finite element computation of the ferroelectric behaviour. [Internet] [Doctoral dissertation]. Châtenay-Malabry, Ecole centrale de Paris; 2010. [cited 2020 Sep 21]. Available from: http://www.theses.fr/2010ECAP0007.

Council of Science Editors:

Albrecht D. Simulation par éléments finis à partir de calculs ab-initio du comportement ferroélectrique : First-principles-based finite element computation of the ferroelectric behaviour. [Doctoral Dissertation]. Châtenay-Malabry, Ecole centrale de Paris; 2010. Available from: http://www.theses.fr/2010ECAP0007


Univerzitet u Beogradu

7. Banjac, Nebojša, 1969-. Синтеза, структура и солватохромизам потенцијално фармаколошки активних деривата сукцинимида.

Degree: Tehnološko-metalurški fakultet, 2015, Univerzitet u Beogradu

Хемија и хемијска технологија - Органска хемија / Chemistry and Chemical Technology - Organic Chemistry Datum odbrane: 21.03.2013.

У оквиру проучавања утицаја структуре на антиконвулзивну… (more)

Subjects/Keywords: Succinimides; lipophilicity; influence of solvent; RP TLC; HPLC; ab initio MD calculation

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APA (6th Edition):

Banjac, Nebojša, 1. (2015). Синтеза, структура и солватохромизам потенцијално фармаколошки активних деривата сукцинимида. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:7728/bdef:Content/get

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):

Banjac, Nebojša, 1969-. “Синтеза, структура и солватохромизам потенцијално фармаколошки активних деривата сукцинимида.” 2015. Thesis, Univerzitet u Beogradu. Accessed September 21, 2020. https://fedorabg.bg.ac.rs/fedora/get/o:7728/bdef:Content/get.

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

MLA Handbook (7th Edition):

Banjac, Nebojša, 1969-. “Синтеза, структура и солватохромизам потенцијално фармаколошки активних деривата сукцинимида.” 2015. Web. 21 Sep 2020.

Vancouver:

Banjac, Nebojša 1. Синтеза, структура и солватохромизам потенцијално фармаколошки активних деривата сукцинимида. [Internet] [Thesis]. Univerzitet u Beogradu; 2015. [cited 2020 Sep 21]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:7728/bdef:Content/get.

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

Council of Science Editors:

Banjac, Nebojša 1. Синтеза, структура и солватохромизам потенцијално фармаколошки активних деривата сукцинимида. [Thesis]. Univerzitet u Beogradu; 2015. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:7728/bdef:Content/get

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


Duquesne University

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Zeigler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Doctoral Dissertation, Duquesne University. Accessed September 21, 2020. https://dsc.duq.edu/etd/1404.

MLA Handbook (7th Edition):

Zeigler, Michael. “Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions.” 2011. Web. 21 Sep 2020.

Vancouver:

Zeigler M. Understanding the Effect of Cation and Solvation on the Structure and Reactivity of Nitrile Anions. [Internet] [Doctoral dissertation]. Duquesne University; 2011. [cited 2020 Sep 21]. Available from: https://dsc.duq.edu/etd/1404.

Council of Science Editors:

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

9. Mabrouk, Manel. Structure électronique des couches minces organiques : Electronic structure of organic thin layers.

Degree: Docteur es, Physique et sciences de la matière, 2016, Aix-Marseille; Faculté des sciences, université de Monastir, Tunisie

Ce mémoire de thèse présente les travaux de recherche sur les monocouches auto-organisées organométalliques. Nous avons étudié théoriquement les propriétés structurales, électroniques et magnétiques des… (more)

Subjects/Keywords: Polymère 2D; Calculs ab-Initio; Dft+u; Pc; Tcnb; Métal de transition; 2D polymer; Ab-Initio calculation; Dft+u; Pc; Tcnb; Transition metal

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APA (6th Edition):

Mabrouk, M. (2016). Structure électronique des couches minces organiques : Electronic structure of organic thin layers. (Doctoral Dissertation). Aix-Marseille; Faculté des sciences, université de Monastir, Tunisie. Retrieved from http://www.theses.fr/2016AIXM4343

Chicago Manual of Style (16th Edition):

Mabrouk, Manel. “Structure électronique des couches minces organiques : Electronic structure of organic thin layers.” 2016. Doctoral Dissertation, Aix-Marseille; Faculté des sciences, université de Monastir, Tunisie. Accessed September 21, 2020. http://www.theses.fr/2016AIXM4343.

MLA Handbook (7th Edition):

Mabrouk, Manel. “Structure électronique des couches minces organiques : Electronic structure of organic thin layers.” 2016. Web. 21 Sep 2020.

Vancouver:

Mabrouk M. Structure électronique des couches minces organiques : Electronic structure of organic thin layers. [Internet] [Doctoral dissertation]. Aix-Marseille; Faculté des sciences, université de Monastir, Tunisie; 2016. [cited 2020 Sep 21]. Available from: http://www.theses.fr/2016AIXM4343.

Council of Science Editors:

Mabrouk M. Structure électronique des couches minces organiques : Electronic structure of organic thin layers. [Doctoral Dissertation]. Aix-Marseille; Faculté des sciences, université de Monastir, Tunisie; 2016. Available from: http://www.theses.fr/2016AIXM4343

10. 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

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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 September 21, 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. 21 Sep 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 Sep 21]. 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

11. Hoffmann, Sabrina. Structure and electronic properties of supported noble metal clusters.

Degree: 2013, Technische Universität Dortmund

 The use of noble metal nanoparticles such as silver clusters in future applications requires detailed knowledge about their structure and electronic properties. These properties alter… (more)

Subjects/Keywords: Ab-initio calculation; Clusters; FEFF; L-edge; Optical absorption; Plasmonics; Silver; XANES; X-ray absorption; 530

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APA (6th Edition):

Hoffmann, S. (2013). Structure and electronic properties of supported noble metal clusters. (Thesis). Technische Universität Dortmund. Retrieved from http://hdl.handle.net/2003/30037

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):

Hoffmann, Sabrina. “Structure and electronic properties of supported noble metal clusters.” 2013. Thesis, Technische Universität Dortmund. Accessed September 21, 2020. http://hdl.handle.net/2003/30037.

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

MLA Handbook (7th Edition):

Hoffmann, Sabrina. “Structure and electronic properties of supported noble metal clusters.” 2013. Web. 21 Sep 2020.

Vancouver:

Hoffmann S. Structure and electronic properties of supported noble metal clusters. [Internet] [Thesis]. Technische Universität Dortmund; 2013. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/2003/30037.

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

Council of Science Editors:

Hoffmann S. Structure and electronic properties of supported noble metal clusters. [Thesis]. Technische Universität Dortmund; 2013. Available from: http://hdl.handle.net/2003/30037

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

12. Hoffmann, Sabrina. Structure and electronic properties of supported noble metal clusters.

Degree: 2013, Technische Universität Dortmund

 The use of noble metal nanoparticles such as silver clusters in future applications requires detailed knowledge about their structure and electronic properties. These properties alter… (more)

Subjects/Keywords: Ab-initio calculation; Clusters; FEFF; L-edge; Optical absorption; Plasmonics; Silver; XANES; X-ray absorption; 530

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APA (6th Edition):

Hoffmann, S. (2013). Structure and electronic properties of supported noble metal clusters. (Doctoral Dissertation). Technische Universität Dortmund. Retrieved from http://dx.doi.org/10.17877/DE290R-5293

Chicago Manual of Style (16th Edition):

Hoffmann, Sabrina. “Structure and electronic properties of supported noble metal clusters.” 2013. Doctoral Dissertation, Technische Universität Dortmund. Accessed September 21, 2020. http://dx.doi.org/10.17877/DE290R-5293.

MLA Handbook (7th Edition):

Hoffmann, Sabrina. “Structure and electronic properties of supported noble metal clusters.” 2013. Web. 21 Sep 2020.

Vancouver:

Hoffmann S. Structure and electronic properties of supported noble metal clusters. [Internet] [Doctoral dissertation]. Technische Universität Dortmund; 2013. [cited 2020 Sep 21]. Available from: http://dx.doi.org/10.17877/DE290R-5293.

Council of Science Editors:

Hoffmann S. Structure and electronic properties of supported noble metal clusters. [Doctoral Dissertation]. Technische Universität Dortmund; 2013. Available from: http://dx.doi.org/10.17877/DE290R-5293


University of Otago

13. Low, Geoffrey Ross. Calculation of OH-stretching vibrational properties of water clusters .

Degree: 2013, University of Otago

 Solar radiation is the main energy source for the Earth's climate system and determination of the amount of solar radiation that reaches the surface is… (more)

Subjects/Keywords: Water Dimer; Water Trimer; OH-stretching vibrational overtones; Water clusters; Harmonically-coupled Anharmonic Oscillator; Ab initio calculation; Hydrogen-bond

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APA (6th Edition):

Low, G. R. (2013). Calculation of OH-stretching vibrational properties of water clusters . (Doctoral Dissertation). University of Otago. Retrieved from http://hdl.handle.net/10523/3740

Chicago Manual of Style (16th Edition):

Low, Geoffrey Ross. “Calculation of OH-stretching vibrational properties of water clusters .” 2013. Doctoral Dissertation, University of Otago. Accessed September 21, 2020. http://hdl.handle.net/10523/3740.

MLA Handbook (7th Edition):

Low, Geoffrey Ross. “Calculation of OH-stretching vibrational properties of water clusters .” 2013. Web. 21 Sep 2020.

Vancouver:

Low GR. Calculation of OH-stretching vibrational properties of water clusters . [Internet] [Doctoral dissertation]. University of Otago; 2013. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/10523/3740.

Council of Science Editors:

Low GR. Calculation of OH-stretching vibrational properties of water clusters . [Doctoral Dissertation]. University of Otago; 2013. Available from: http://hdl.handle.net/10523/3740


Univerzitet u Beogradu

14. Sredojević, Dušan, 1979-. Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala.

Degree: Hemijski fakultet, 2015, Univerzitet u Beogradu

Hemija-Neorganska hemija / Chemistry-Inorganic chemistry

Nekovalentne interakcije aromatičnih i drugih π-sistema, uključujući steking interakcije, su veoma važne u različitim molekulskim sistemima, od biomolekula do kristalnog… (more)

Subjects/Keywords: chelate rings; square-planar complexes; C6H4 – rings; stacking interactions; quantum-chemical calculation; DFT-D mehtod; ab initio method

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APA (6th Edition):

Sredojević, Dušan, 1. (2015). Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala. (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:9298/bdef:Content/get

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):

Sredojević, Dušan, 1979-. “Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala.” 2015. Thesis, Univerzitet u Beogradu. Accessed September 21, 2020. https://fedorabg.bg.ac.rs/fedora/get/o:9298/bdef:Content/get.

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

MLA Handbook (7th Edition):

Sredojević, Dušan, 1979-. “Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala.” 2015. Web. 21 Sep 2020.

Vancouver:

Sredojević, Dušan 1. Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala. [Internet] [Thesis]. Univerzitet u Beogradu; 2015. [cited 2020 Sep 21]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:9298/bdef:Content/get.

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

Council of Science Editors:

Sredojević, Dušan 1. Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala. [Thesis]. Univerzitet u Beogradu; 2015. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:9298/bdef:Content/get

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


Brno University of Technology

15. Svatoň, Josef. Stabilita karbidů a nitridů železa, kobaltu a niklu z prvních principů: Stability of iron, cobalt and nickel carbides and nitrides from first principles.

Degree: 2019, Brno University of Technology

 The present hesis is devoted to crystal structure stability of cobalt and nickel carbides and nitrides and exactly structures NiC and CoN. In this case… (more)

Subjects/Keywords: elektronová struktura; výpočty z prvních principů; karbidy niklu; nitridy kobaltu; electronic structure; ab-initio calculation; nickel carbides; kobalt nitrides

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APA (6th Edition):

Svatoň, J. (2019). Stabilita karbidů a nitridů železa, kobaltu a niklu z prvních principů: Stability of iron, cobalt and nickel carbides and nitrides from first principles. (Thesis). Brno University of Technology. Retrieved from http://hdl.handle.net/11012/16421

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):

Svatoň, Josef. “Stabilita karbidů a nitridů železa, kobaltu a niklu z prvních principů: Stability of iron, cobalt and nickel carbides and nitrides from first principles.” 2019. Thesis, Brno University of Technology. Accessed September 21, 2020. http://hdl.handle.net/11012/16421.

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

MLA Handbook (7th Edition):

Svatoň, Josef. “Stabilita karbidů a nitridů železa, kobaltu a niklu z prvních principů: Stability of iron, cobalt and nickel carbides and nitrides from first principles.” 2019. Web. 21 Sep 2020.

Vancouver:

Svatoň J. Stabilita karbidů a nitridů železa, kobaltu a niklu z prvních principů: Stability of iron, cobalt and nickel carbides and nitrides from first principles. [Internet] [Thesis]. Brno University of Technology; 2019. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/11012/16421.

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

Council of Science Editors:

Svatoň J. Stabilita karbidů a nitridů železa, kobaltu a niklu z prvních principů: Stability of iron, cobalt and nickel carbides and nitrides from first principles. [Thesis]. Brno University of Technology; 2019. Available from: http://hdl.handle.net/11012/16421

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


Kyoto University / 京都大学

16. Maeshima, Hiroyuki. Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes : 有機電解液の電気化学安定性とイオン伝導に関する理論的研究.

Degree: 博士(工学), 2014, Kyoto University / 京都大学

新制・課程博士

甲第18278号

工博第3870号

Subjects/Keywords: liquid electrolyte; electrochemical stability; ionic conductivity; ab initio calculation; molecular dynamics calculation

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APA (6th Edition):

Maeshima, H. (2014). Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes : 有機電解液の電気化学安定性とイオン伝導に関する理論的研究. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/188591 ; http://dx.doi.org/10.14989/doctor.k18278

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):

Maeshima, Hiroyuki. “Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes : 有機電解液の電気化学安定性とイオン伝導に関する理論的研究.” 2014. Thesis, Kyoto University / 京都大学. Accessed September 21, 2020. http://hdl.handle.net/2433/188591 ; http://dx.doi.org/10.14989/doctor.k18278.

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

MLA Handbook (7th Edition):

Maeshima, Hiroyuki. “Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes : 有機電解液の電気化学安定性とイオン伝導に関する理論的研究.” 2014. Web. 21 Sep 2020.

Vancouver:

Maeshima H. Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes : 有機電解液の電気化学安定性とイオン伝導に関する理論的研究. [Internet] [Thesis]. Kyoto University / 京都大学; 2014. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/2433/188591 ; http://dx.doi.org/10.14989/doctor.k18278.

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

Council of Science Editors:

Maeshima H. Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes : 有機電解液の電気化学安定性とイオン伝導に関する理論的研究. [Thesis]. Kyoto University / 京都大学; 2014. Available from: http://hdl.handle.net/2433/188591 ; http://dx.doi.org/10.14989/doctor.k18278

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


Kyoto University

17. Maeshima, Hiroyuki. Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes .

Degree: 2014, Kyoto University

Subjects/Keywords: liquid electrolyte; electrochemical stability; ionic conductivity; ab initio calculation; molecular dynamics calculation

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

APA (6th Edition):

Maeshima, H. (2014). Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes . (Thesis). Kyoto University. Retrieved from http://hdl.handle.net/2433/188591

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):

Maeshima, Hiroyuki. “Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes .” 2014. Thesis, Kyoto University. Accessed September 21, 2020. http://hdl.handle.net/2433/188591.

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

MLA Handbook (7th Edition):

Maeshima, Hiroyuki. “Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes .” 2014. Web. 21 Sep 2020.

Vancouver:

Maeshima H. Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes . [Internet] [Thesis]. Kyoto University; 2014. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/2433/188591.

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

Council of Science Editors:

Maeshima H. Theoretical Study of Electrochemical Stability and Ionic Conductivity of Organic Liquid Electrolytes . [Thesis]. Kyoto University; 2014. Available from: http://hdl.handle.net/2433/188591

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

18. Giroldo, Tatiana. Energética e mecanismos de processos iônicos em fase gasosa.

Degree: PhD, Físico-Química, 2007, University of São Paulo

O estudo da reatividade de íons em fase gasosa é bem diversificado e têm sido extensivamente explorado com técnicas de espectrometria de massas. Essa tese… (more)

Subjects/Keywords: Ab initio calculation; Cálculos ab initio; Dissociação de íons; Eletrophilic reactions; Estrutura de íons; Gas-phase ions; Ions dissociation; Mass spectrometry; Nuclephilic displacement; Reações íon / molécula; Reações eletrofílicas; Substituição nucleofílica aromática

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APA (6th Edition):

Giroldo, T. (2007). Energética e mecanismos de processos iônicos em fase gasosa. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23082007-145049/ ;

Chicago Manual of Style (16th Edition):

Giroldo, Tatiana. “Energética e mecanismos de processos iônicos em fase gasosa.” 2007. Doctoral Dissertation, University of São Paulo. Accessed September 21, 2020. http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23082007-145049/ ;.

MLA Handbook (7th Edition):

Giroldo, Tatiana. “Energética e mecanismos de processos iônicos em fase gasosa.” 2007. Web. 21 Sep 2020.

Vancouver:

Giroldo T. Energética e mecanismos de processos iônicos em fase gasosa. [Internet] [Doctoral dissertation]. University of São Paulo; 2007. [cited 2020 Sep 21]. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23082007-145049/ ;.

Council of Science Editors:

Giroldo T. Energética e mecanismos de processos iônicos em fase gasosa. [Doctoral Dissertation]. University of São Paulo; 2007. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-23082007-145049/ ;

19. Zhou, Jiaqi. Etude ab initio du transport quantique dépendant du spin : Ab initio investigations of spin-dependent quantum transport.

Degree: Docteur es, Electronique et Optoélectronique, Nano- et Microtechnologies, 2019, Université Paris-Saclay (ComUE); Beihang university (Pékin)

Les dispositifs spintroniques exploitent le degré de liberté du spin électronique pour traiter l'information. Dans cette thèse, nous étudions les propriétés de transport quantique dépendant… (more)

Subjects/Keywords: Magnétorésistance à effet tunnel; Effet de Hall de spin; Efficacité d’injection de spin; Jonction tunnel magnétique; Système bidimensionnel; Calcul ab initio; Tunneling magnetoresistance; Spin Hall effect; Spin injection efficiency; Magnetic tunnel junction; Two-Dimensional system; Ab initio calculation

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APA (6th Edition):

Zhou, J. (2019). Etude ab initio du transport quantique dépendant du spin : Ab initio investigations of spin-dependent quantum transport. (Doctoral Dissertation). Université Paris-Saclay (ComUE); Beihang university (Pékin). Retrieved from http://www.theses.fr/2019SACLS508

Chicago Manual of Style (16th Edition):

Zhou, Jiaqi. “Etude ab initio du transport quantique dépendant du spin : Ab initio investigations of spin-dependent quantum transport.” 2019. Doctoral Dissertation, Université Paris-Saclay (ComUE); Beihang university (Pékin). Accessed September 21, 2020. http://www.theses.fr/2019SACLS508.

MLA Handbook (7th Edition):

Zhou, Jiaqi. “Etude ab initio du transport quantique dépendant du spin : Ab initio investigations of spin-dependent quantum transport.” 2019. Web. 21 Sep 2020.

Vancouver:

Zhou J. Etude ab initio du transport quantique dépendant du spin : Ab initio investigations of spin-dependent quantum transport. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); Beihang university (Pékin); 2019. [cited 2020 Sep 21]. Available from: http://www.theses.fr/2019SACLS508.

Council of Science Editors:

Zhou J. Etude ab initio du transport quantique dépendant du spin : Ab initio investigations of spin-dependent quantum transport. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); Beihang university (Pékin); 2019. Available from: http://www.theses.fr/2019SACLS508


Kyoto University / 京都大学

20. Fukuda, Masahiro. Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators : 量子電磁力学における電子スピンの局所描像と演算子の時間発展シミュレーション法の理論的研究.

Degree: 博士(工学), 2016, Kyoto University / 京都大学

新制・課程博士

甲第19896号

工博第4212号

Subjects/Keywords: quantum electrodynamics; ab initio calculation; relativistic quantum field theory; spin dynamics; spintronics

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APA (6th Edition):

Fukuda, M. (2016). Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators : 量子電磁力学における電子スピンの局所描像と演算子の時間発展シミュレーション法の理論的研究. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/215962 ; http://dx.doi.org/10.14989/doctor.k19896

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):

Fukuda, Masahiro. “Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators : 量子電磁力学における電子スピンの局所描像と演算子の時間発展シミュレーション法の理論的研究.” 2016. Thesis, Kyoto University / 京都大学. Accessed September 21, 2020. http://hdl.handle.net/2433/215962 ; http://dx.doi.org/10.14989/doctor.k19896.

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

MLA Handbook (7th Edition):

Fukuda, Masahiro. “Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators : 量子電磁力学における電子スピンの局所描像と演算子の時間発展シミュレーション法の理論的研究.” 2016. Web. 21 Sep 2020.

Vancouver:

Fukuda M. Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators : 量子電磁力学における電子スピンの局所描像と演算子の時間発展シミュレーション法の理論的研究. [Internet] [Thesis]. Kyoto University / 京都大学; 2016. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/2433/215962 ; http://dx.doi.org/10.14989/doctor.k19896.

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

Council of Science Editors:

Fukuda M. Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators : 量子電磁力学における電子スピンの局所描像と演算子の時間発展シミュレーション法の理論的研究. [Thesis]. Kyoto University / 京都大学; 2016. Available from: http://hdl.handle.net/2433/215962 ; http://dx.doi.org/10.14989/doctor.k19896

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


Texas A&M University

21. Williams, Michael Eric. Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures.

Degree: MS, Mechanical Engineering, 2009, Texas A&M University

 In thiswork we present the development of a method for the prediciton of finite temperature elastic and thermodynamic properties of cubic, non-magnetic unary and binary… (more)

Subjects/Keywords: First principles; ab-initio; electronic structure calculation; materials simulation; high temperature alloys

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APA (6th Edition):

Williams, M. E. (2009). Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures. (Masters Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/ETD-TAMU-2779

Chicago Manual of Style (16th Edition):

Williams, Michael Eric. “Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures.” 2009. Masters Thesis, Texas A&M University. Accessed September 21, 2020. http://hdl.handle.net/1969.1/ETD-TAMU-2779.

MLA Handbook (7th Edition):

Williams, Michael Eric. “Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures.” 2009. Web. 21 Sep 2020.

Vancouver:

Williams ME. Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures. [Internet] [Masters thesis]. Texas A&M University; 2009. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-2779.

Council of Science Editors:

Williams ME. Ab-initio elastic and thermodynamic properties of high-temperature cubic intermetallics at finite temperatures. [Masters Thesis]. Texas A&M University; 2009. Available from: http://hdl.handle.net/1969.1/ETD-TAMU-2779

22. CAO YE. WEAK INTERMOLECULAR INTERACTIONS IN SIMPLE ALKANES, HALOGENS AND p ELECTRON-RICH MOLECULES.

Degree: 2012, National University of Singapore

Subjects/Keywords: Intermolecular interaction; p electron-rich complexes; ab initio calculation; electrostatic interaction; dispersion

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APA (6th Edition):

YE, C. (2012). WEAK INTERMOLECULAR INTERACTIONS IN SIMPLE ALKANES, HALOGENS AND p ELECTRON-RICH MOLECULES. (Thesis). National University of Singapore. Retrieved from http://scholarbank.nus.edu.sg/handle/10635/37575

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):

YE, CAO. “WEAK INTERMOLECULAR INTERACTIONS IN SIMPLE ALKANES, HALOGENS AND p ELECTRON-RICH MOLECULES.” 2012. Thesis, National University of Singapore. Accessed September 21, 2020. http://scholarbank.nus.edu.sg/handle/10635/37575.

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

MLA Handbook (7th Edition):

YE, CAO. “WEAK INTERMOLECULAR INTERACTIONS IN SIMPLE ALKANES, HALOGENS AND p ELECTRON-RICH MOLECULES.” 2012. Web. 21 Sep 2020.

Vancouver:

YE C. WEAK INTERMOLECULAR INTERACTIONS IN SIMPLE ALKANES, HALOGENS AND p ELECTRON-RICH MOLECULES. [Internet] [Thesis]. National University of Singapore; 2012. [cited 2020 Sep 21]. Available from: http://scholarbank.nus.edu.sg/handle/10635/37575.

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

Council of Science Editors:

YE C. WEAK INTERMOLECULAR INTERACTIONS IN SIMPLE ALKANES, HALOGENS AND p ELECTRON-RICH MOLECULES. [Thesis]. National University of Singapore; 2012. Available from: http://scholarbank.nus.edu.sg/handle/10635/37575

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


Université de Grenoble

23. Pusceddu, Emanuela. Structure and magnetic properties in half-doped manganites Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : A systematic study by neutron scattering and ab-initio calculations : Propriétés structurelles et magnétiques dans les composants de manganèse Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : Une étude systématique par diffusion des neutrons et calculs ab initio.

Degree: Docteur es, Physique de la matière condensée et du rayonnement, 2011, Université de Grenoble

 Le but de ce travail était de réaliser une étude systématique de la structure électronique et magnétique de la famille des manganites semi-dopés du Ca:… (more)

Subjects/Keywords: Manganites; DFT; Diffusion de neutrons; Systèmes fortement corrèle; Strong correleted systems; Manganes oxydes; Neutron scattering and diffraction; Ab initio calculation; DFT; 530

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APA (6th Edition):

Pusceddu, E. (2011). Structure and magnetic properties in half-doped manganites Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : A systematic study by neutron scattering and ab-initio calculations : Propriétés structurelles et magnétiques dans les composants de manganèse Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : Une étude systématique par diffusion des neutrons et calculs ab initio. (Doctoral Dissertation). Université de Grenoble. Retrieved from http://www.theses.fr/2011GRENY021

Chicago Manual of Style (16th Edition):

Pusceddu, Emanuela. “Structure and magnetic properties in half-doped manganites Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : A systematic study by neutron scattering and ab-initio calculations : Propriétés structurelles et magnétiques dans les composants de manganèse Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : Une étude systématique par diffusion des neutrons et calculs ab initio.” 2011. Doctoral Dissertation, Université de Grenoble. Accessed September 21, 2020. http://www.theses.fr/2011GRENY021.

MLA Handbook (7th Edition):

Pusceddu, Emanuela. “Structure and magnetic properties in half-doped manganites Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : A systematic study by neutron scattering and ab-initio calculations : Propriétés structurelles et magnétiques dans les composants de manganèse Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : Une étude systématique par diffusion des neutrons et calculs ab initio.” 2011. Web. 21 Sep 2020.

Vancouver:

Pusceddu E. Structure and magnetic properties in half-doped manganites Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : A systematic study by neutron scattering and ab-initio calculations : Propriétés structurelles et magnétiques dans les composants de manganèse Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : Une étude systématique par diffusion des neutrons et calculs ab initio. [Internet] [Doctoral dissertation]. Université de Grenoble; 2011. [cited 2020 Sep 21]. Available from: http://www.theses.fr/2011GRENY021.

Council of Science Editors:

Pusceddu E. Structure and magnetic properties in half-doped manganites Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : A systematic study by neutron scattering and ab-initio calculations : Propriétés structurelles et magnétiques dans les composants de manganèse Ln0.5Ca0.5MnO3 (Ln=La, Pr, Nd, …, Lu) : Une étude systématique par diffusion des neutrons et calculs ab initio. [Doctoral Dissertation]. Université de Grenoble; 2011. Available from: http://www.theses.fr/2011GRENY021


Kyoto University

24. Fukuda, Masahiro. Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators .

Degree: 2016, Kyoto University

Subjects/Keywords: quantum electrodynamics; ab initio calculation; relativistic quantum field theory; spin dynamics; spintronics

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APA (6th Edition):

Fukuda, M. (2016). Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators . (Thesis). Kyoto University. Retrieved from http://hdl.handle.net/2433/215962

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):

Fukuda, Masahiro. “Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators .” 2016. Thesis, Kyoto University. Accessed September 21, 2020. http://hdl.handle.net/2433/215962.

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

MLA Handbook (7th Edition):

Fukuda, Masahiro. “Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators .” 2016. Web. 21 Sep 2020.

Vancouver:

Fukuda M. Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators . [Internet] [Thesis]. Kyoto University; 2016. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/2433/215962.

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

Council of Science Editors:

Fukuda M. Theoretical Studies of Quantum Electrodynamics for Local Picture of Electron Spin and Time-evolution Simulation Method of Operators . [Thesis]. Kyoto University; 2016. Available from: http://hdl.handle.net/2433/215962

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


Vanderbilt University

25. Tao, Zhi. Molecular Dynamics Simulation Study of PEO-based Polymer Electrolytes in Aqueous Solution.

Degree: PhD, Chemical Engineering, 2008, Vanderbilt University

 Abstract Lithium polymer batteries (LPB) using polyethylene oxide (PEO) polymer host are one of the most popularly used rechargeable batteries. A major factor limiting their… (more)

Subjects/Keywords: polyethylene oxide (PEO); ab initio calculation; water; lithium; polymer electrolytes; Lithium cells  – Design and construction; MD simulation; polarizability; Polyelectrolytes; Electrolytes  – Conductivity

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APA (6th Edition):

Tao, Z. (2008). Molecular Dynamics Simulation Study of PEO-based Polymer Electrolytes in Aqueous Solution. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/11101

Chicago Manual of Style (16th Edition):

Tao, Zhi. “Molecular Dynamics Simulation Study of PEO-based Polymer Electrolytes in Aqueous Solution.” 2008. Doctoral Dissertation, Vanderbilt University. Accessed September 21, 2020. http://hdl.handle.net/1803/11101.

MLA Handbook (7th Edition):

Tao, Zhi. “Molecular Dynamics Simulation Study of PEO-based Polymer Electrolytes in Aqueous Solution.” 2008. Web. 21 Sep 2020.

Vancouver:

Tao Z. Molecular Dynamics Simulation Study of PEO-based Polymer Electrolytes in Aqueous Solution. [Internet] [Doctoral dissertation]. Vanderbilt University; 2008. [cited 2020 Sep 21]. Available from: http://hdl.handle.net/1803/11101.

Council of Science Editors:

Tao Z. Molecular Dynamics Simulation Study of PEO-based Polymer Electrolytes in Aqueous Solution. [Doctoral Dissertation]. Vanderbilt University; 2008. Available from: http://hdl.handle.net/1803/11101


Penn State University

26. Otake, Tsubasa. Understanding Redox Processes in Surface Environments from Iron Oxide Transformations and Multiple Sulfur Isotope Fractionations .

Degree: 2008, Penn State University

 The ultimate goal of this thesis was to increase our understanding of the evolution of the atmosphere, hydrosphere, biosphere, and thermal structure of early Earth.… (more)

Subjects/Keywords: mass-independent fractionation; sulfur isotope; banded iron formation; transformation; iron oxide; ab initio calculation

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APA (6th Edition):

Otake, T. (2008). Understanding Redox Processes in Surface Environments from Iron Oxide Transformations and Multiple Sulfur Isotope Fractionations . (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/9280

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):

Otake, Tsubasa. “Understanding Redox Processes in Surface Environments from Iron Oxide Transformations and Multiple Sulfur Isotope Fractionations .” 2008. Thesis, Penn State University. Accessed September 21, 2020. https://submit-etda.libraries.psu.edu/catalog/9280.

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

MLA Handbook (7th Edition):

Otake, Tsubasa. “Understanding Redox Processes in Surface Environments from Iron Oxide Transformations and Multiple Sulfur Isotope Fractionations .” 2008. Web. 21 Sep 2020.

Vancouver:

Otake T. Understanding Redox Processes in Surface Environments from Iron Oxide Transformations and Multiple Sulfur Isotope Fractionations . [Internet] [Thesis]. Penn State University; 2008. [cited 2020 Sep 21]. Available from: https://submit-etda.libraries.psu.edu/catalog/9280.

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

Council of Science Editors:

Otake T. Understanding Redox Processes in Surface Environments from Iron Oxide Transformations and Multiple Sulfur Isotope Fractionations . [Thesis]. Penn State University; 2008. Available from: https://submit-etda.libraries.psu.edu/catalog/9280

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

27. ZHANG XINHUAI. Computational study on macro biological active molecules.

Degree: 2005, National University of Singapore

Subjects/Keywords: halonium heterocyclic cation; biological activity; molecular structure; ab initio calculation; electronic property; iodonium heterocyclic compounds

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APA (6th Edition):

XINHUAI, Z. (2005). Computational study on macro biological active molecules. (Thesis). National University of Singapore. Retrieved from http://scholarbank.nus.edu.sg/handle/10635/16476

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):

XINHUAI, ZHANG. “Computational study on macro biological active molecules.” 2005. Thesis, National University of Singapore. Accessed September 21, 2020. http://scholarbank.nus.edu.sg/handle/10635/16476.

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

MLA Handbook (7th Edition):

XINHUAI, ZHANG. “Computational study on macro biological active molecules.” 2005. Web. 21 Sep 2020.

Vancouver:

XINHUAI Z. Computational study on macro biological active molecules. [Internet] [Thesis]. National University of Singapore; 2005. [cited 2020 Sep 21]. Available from: http://scholarbank.nus.edu.sg/handle/10635/16476.

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

Council of Science Editors:

XINHUAI Z. Computational study on macro biological active molecules. [Thesis]. National University of Singapore; 2005. Available from: http://scholarbank.nus.edu.sg/handle/10635/16476

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

28. SHU YINGYING. Circular aromatic Gamma-peptides derived from phenol- and methoxybenzene-based building blocks.

Degree: 2009, National University of Singapore

Subjects/Keywords: aromatic circular gamma-peptides; foldamers; oligoamides; hydrogen bonds; ab initio calculation; synthetic ion channels

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APA (6th Edition):

YINGYING, S. (2009). Circular aromatic Gamma-peptides derived from phenol- and methoxybenzene-based building blocks. (Thesis). National University of Singapore. Retrieved from http://scholarbank.nus.edu.sg/handle/10635/16576

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):

YINGYING, SHU. “Circular aromatic Gamma-peptides derived from phenol- and methoxybenzene-based building blocks.” 2009. Thesis, National University of Singapore. Accessed September 21, 2020. http://scholarbank.nus.edu.sg/handle/10635/16576.

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

MLA Handbook (7th Edition):

YINGYING, SHU. “Circular aromatic Gamma-peptides derived from phenol- and methoxybenzene-based building blocks.” 2009. Web. 21 Sep 2020.

Vancouver:

YINGYING S. Circular aromatic Gamma-peptides derived from phenol- and methoxybenzene-based building blocks. [Internet] [Thesis]. National University of Singapore; 2009. [cited 2020 Sep 21]. Available from: http://scholarbank.nus.edu.sg/handle/10635/16576.

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

Council of Science Editors:

YINGYING S. Circular aromatic Gamma-peptides derived from phenol- and methoxybenzene-based building blocks. [Thesis]. National University of Singapore; 2009. Available from: http://scholarbank.nus.edu.sg/handle/10635/16576

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


Freie Universität Berlin

29. Röttger, Matthias. Synthesis, Structure and Reactivity of geminal functionalised Isocyanides.

Degree: 1999, Freie Universität Berlin

 The unstable isocyanides diisocyanomethane and isocyanoacetonitrile could be synthesised via Ugi-synthesis. These compounds were characterised with nmr- ir- and mass spectra. The crystal structure of… (more)

Subjects/Keywords: Isocyanides; Nitriles; Metal complexes; ab initio calculation;

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APA (6th Edition):

Röttger, M. (1999). Synthesis, Structure and Reactivity of geminal functionalised Isocyanides. (Thesis). Freie Universität Berlin. Retrieved from http://dx.doi.org/10.17169/refubium-13068

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):

Röttger, Matthias. “Synthesis, Structure and Reactivity of geminal functionalised Isocyanides.” 1999. Thesis, Freie Universität Berlin. Accessed September 21, 2020. http://dx.doi.org/10.17169/refubium-13068.

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

MLA Handbook (7th Edition):

Röttger, Matthias. “Synthesis, Structure and Reactivity of geminal functionalised Isocyanides.” 1999. Web. 21 Sep 2020.

Vancouver:

Röttger M. Synthesis, Structure and Reactivity of geminal functionalised Isocyanides. [Internet] [Thesis]. Freie Universität Berlin; 1999. [cited 2020 Sep 21]. Available from: http://dx.doi.org/10.17169/refubium-13068.

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

Council of Science Editors:

Röttger M. Synthesis, Structure and Reactivity of geminal functionalised Isocyanides. [Thesis]. Freie Universität Berlin; 1999. Available from: http://dx.doi.org/10.17169/refubium-13068

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


East Tennessee State University

30. Nowroozi-Isfahani, Taraneh. Theoretical Study on the Mechanism of Removing Nitrogen Oxides using Isocyanic Acid.

Degree: MS, Chemistry, 2001, East Tennessee State University

  The mechanism of RAPRENOx reactions - RAPid REduction of Nitrogen Oxides using Isocyanic acid - proposed by Robert A. Perry1 in an attempt to… (more)

Subjects/Keywords: chemistry; nitrogen oxides; Density Functional Theory; reaction mechanism analysis; Ab initio calculation; Chemistry; Physical Sciences and Mathematics

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APA (6th Edition):

Nowroozi-Isfahani, T. (2001). Theoretical Study on the Mechanism of Removing Nitrogen Oxides using Isocyanic Acid. (Masters Thesis). East Tennessee State University. Retrieved from https://dc.etsu.edu/etd/48

Chicago Manual of Style (16th Edition):

Nowroozi-Isfahani, Taraneh. “Theoretical Study on the Mechanism of Removing Nitrogen Oxides using Isocyanic Acid.” 2001. Masters Thesis, East Tennessee State University. Accessed September 21, 2020. https://dc.etsu.edu/etd/48.

MLA Handbook (7th Edition):

Nowroozi-Isfahani, Taraneh. “Theoretical Study on the Mechanism of Removing Nitrogen Oxides using Isocyanic Acid.” 2001. Web. 21 Sep 2020.

Vancouver:

Nowroozi-Isfahani T. Theoretical Study on the Mechanism of Removing Nitrogen Oxides using Isocyanic Acid. [Internet] [Masters thesis]. East Tennessee State University; 2001. [cited 2020 Sep 21]. Available from: https://dc.etsu.edu/etd/48.

Council of Science Editors:

Nowroozi-Isfahani T. Theoretical Study on the Mechanism of Removing Nitrogen Oxides using Isocyanic Acid. [Masters Thesis]. East Tennessee State University; 2001. Available from: https://dc.etsu.edu/etd/48

[1] [2]

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