Academic literature on the topic 'Théorie de la structure électronique'
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Journal articles on the topic "Théorie de la structure électronique":
Poumbga, CN, and M. Bénard. "Structure électronique du complexe CrV(C5H5)2C8H8 : une étude théorique ab initio Cl(INO)." Journal de Chimie Physique 90 (1993): 15–26. http://dx.doi.org/10.1051/jcp/1993900015.
Leroy, G., and J. Nys. "Étude Théorique de Molécules Conjuguées II. Structure électronique et propriétés énergétiques de trois colorants polyméthiniques." Bulletin des Sociétés Chimiques Belges 73, no. 7-8 (September 2, 2010): 673–88. http://dx.doi.org/10.1002/bscb.19640730706.
Bourass, Mohamed, and Mohammed Bouachrine. "Étude structurale des systèmes dissymétriques de structure D-π-A à base de thiénopyrazine destinés aux cellules solaires organiques de type « bulk heterojunction » (BHJ)." Canadian Journal of Chemistry 97, no. 10 (October 2019): 745–55. http://dx.doi.org/10.1139/cjc-2019-0053.
Guilloux, Véronique. "Enchères électroniques : un exemple dans le secteur publicitaire." Décisions Marketing N° 27, no. 3 (August 1, 2002): 51–61. http://dx.doi.org/10.3917/dm.027.0051.
Gautrais, Vincent. "Une approche théorique des contrats : application à l'échange de documents informatisé." Les Cahiers de droit 37, no. 1 (April 12, 2005): 121–73. http://dx.doi.org/10.7202/043381ar.
Bellaaj, Moez. "Effets modérateurs des capacités complémentaires dans le e-commerce." Revue internationale P.M.E. 22, no. 2 (June 25, 2010): 9–40. http://dx.doi.org/10.7202/044029ar.
Harel, Simon. "L’ambiologie, forme contemporaine de la rumeur." Protée 32, no. 3 (September 1, 2005): 9–24. http://dx.doi.org/10.7202/011255ar.
Goursot, Annick, Edouard Pénigault, Henry Chermette, and Joseph G. Fripiat. "Structure électronique des dianions B12H122− et B9C2Hn2−." Canadian Journal of Chemistry 64, no. 9 (September 1, 1986): 1752–57. http://dx.doi.org/10.1139/v86-289.
Attias, A. J., C. Cavalli, and B. Bloch. "Nouveaux composés mésomorphes à structure électronique délocalisée." Journal de Chimie Physique et de Physico-Chimie Biologique 95, no. 6 (June 1998): 1319–24. http://dx.doi.org/10.1051/jcp:1998274.
Matar, S., V. Gonnet, and G. Dernazeau. "Structure électronique du nitrure de bore cubique dans l'approximation de la densité électronique locale." Journal de Physique I 4, no. 2 (February 1994): 335–42. http://dx.doi.org/10.1051/jp1:1994141.
Dissertations / Theses on the topic "Théorie de la structure électronique":
Krzeminski, Christophe. "Structure électronique et transport dans une jonction moléculaire." Phd thesis, Université des Sciences et Technologie de Lille - Lille I, 2001. http://tel.archives-ouvertes.fr/tel-00600434.
Trambly, de Laissardière Guy. "Etude théorique de la structure électronique des matériaux quasicristallins." Université Joseph Fourier (Grenoble), 1996. http://www.theses.fr/1996GRE10075.
Habar, Mustapha. "Contribution à l'étude de la structure géométrique et électronique de matériaux massifs, de surfaces et d'interfaces." Mulhouse, 1989. http://www.theses.fr/1989MULH0114.
Sottile, Francesco. "Fonctions de réponse des semi-conducteurs et des isolants : de l'équation de Bethe-Salpeter à la théorie de la fonctionnelle de la densité dépendante du temps." Phd thesis, Ecole Polytechnique X, 2003. http://tel.archives-ouvertes.fr/tel-00007531.
Borsalino, Dimitri. "Molécules polaires ultra-froides : structure électronique et contrôle optique." Thesis, Paris 11, 2015. http://www.theses.fr/2015PA112232/document.
This thesis deals with ultracold molecules research, which interest has been growing for several years. Unlike atoms, laser-cooling molecules is very difficult. Alternative methods are necessary to be searched for in order to create ultracold molecular gases. This theoretical work focuses on a particular type of heteronuclear diatomic molecules, possessing an intrinsic electric or magnetic dipole moment, from which originates their mutual anisotropic interactions.Based on the precise knowledge of KRb and KCs molecules (possessing a significant intrinsic electric dipole moment) spectroscopy, combined with theoretical results, the cooling of their internal degrees of freedom using Stimulated Raman Adiabatic Passage (STIRAP), a laser process bringing molecules towards their absolute ground state, has been modelled. Several STIRAP schemes have been investigated and compared regarding their efficiency. The RbCa molecule has then been studied, which spectroscopy is still unknown. The ability of controlling the anisotropic interactions induced by the simultaneous presence of an electric and magnetic dipole moment provided by this species is a clear advantage. The electronic structure of RbCa has been computed with two methods, thus allowing to estimate the reliability of the results. A scheme of laser transitions bringing to the formation of cold RbCa molecules from separate atoms has been proposed.Manipulating and trapping molecules relies on the precise knowledge of their response to an external electromagnetic field, characterised by their dynamic dipolar polarisability. The quantum chemistry calculations mentioned earlier allowed us to compute high-lying excited states, dynamic polarisability has then been computed for a whole set of diatomic molecules (alkali dimers, RbCa, RbSr, …). The optimal parameters for trapping those molecules has then been determined
Tazi, Mouhsine. "Détermination de champs de forces de la porphine et des métalloporphines à l'aide de la théorie de la fonctionnelle de densité et leur validation par le calcul des intensités Raman de résonance." Lille 1, 2000. http://www.theses.fr/2000LIL10135.
Cortona, Pietro. "Théories des fonctionnelles de la densité : nouvelles approximations et applications." Paris 11, 1987. http://www.theses.fr/1987PA112286.
We extended the applicability range of the density-functional theory to the case of relativistic spin-polarized systems. The difficulty of this case is due to the fact that the spin polarisation and the spin orbit effect together break the degeneracy of the system; so neither the total angular momentum j, nor its orbital part L are good quantum numbers of the system. This last point implies that the only way of writing the wave functions is by an infinite series of Dirac orbitals. However, this difficulty can be circumvented: we indicated a method to obtain an explic1te solution in the atomic case. By this method, which can be extended to treat solids, we studied the magnetic properties of the trivalent rare earth ions. We have also proposed a new approximation to the exchange part of the exchange-correlation energy functional. Our approximation treats exactly the self-interaction terms and uses, in a more consistent way than other analogous methods, the homogeneous gas theory in order to obtain an approximate expression of the inter-electron exchange energy. We tested our method by extensive calculations of the electronic properties of many atomic systems: the results show a systematic Improvement both of the local-density and the other self -interaction-corrected results. Next, we extended our method in order to treat relativistic systems. This can be immediatly obtained alter deriving the relativistic inter-electronic exchange energy expression for the homogeneous gas. Using the version of the theory, we showed that the local-density approximation is not appropriate to study solids containing heavy elements. Finally, we studied the charge distributions of solids of alkali halides. We were mainly interested into the ionic deformations due to the crystal field: so we determined the structure factors of these solids by a band calculation in the local-density approximation and we compared these results both with the experimental and with theoretical free-ions results. Ln this wag, we were able to show that the anions in the solids contract; on the other hand our calculations showed that the simple local-density approximation is sufficient to study charge density in ionic solids
Boyer, Richard Soline. "Modélisation physique de la structure électronique, du transport et de l'ionisation par choc dans les matériaux IV-IV massifs, contraints et dans les puits quantiques." Paris 11, 2004. https://tel.archives-ouvertes.fr/tel-00008310.
This PhD thesis is devoted to the study of physical phenomena in SiGe devices involving high energy carriers which induce impact ionization. A thirty-band k. P method has been developed to model energy band diagrams of bulk and strained Si, Ge and SiGe alloys on the whole Brillouin zone in a large energy range (11 eV around the band gap). This method provides the Luttinger parameters and the conduction band effective masses with a very good accuracy. Associated with an envelop function algorithm, the band diagrams of SiGe quantum wells have been obtained in the valence and in the conduction band. From these electronic structures, carrier densities of states are obtained in bulk and strained semiconductors and in quantum wells. Hole density of state masses in bulk and strained SiGe alloys have been calculated as a function of crystal temperature. Chapter 4 is devoted to transport study in SiGe alloys with a matrix resolution of the Boltzmann transport equation. From the density of state masses, hole mobilities are calculated in SiGe alloys. From high electric field transport simulation, impact ionization coefficients have been evaluated for electrons in strained Si and for holes in strained Ge. Electroluminescence measurements have been performed on SiGe HFET and IMPATT diodes. The impact ionization coefficient calculated with the solver are in the same range as the experimental data
Kenzari, Hocine. "Structure électronique des composés à grande maille de type « chimney-ladder »." Vandoeuvre-les-Nancy, INPL, 1998. http://www.theses.fr/1998INPL121N.
Lacoste, Marc. "Complexes réservoirs d'électron mono-et binucléaires : aspects électroniques et structuraux : transfert d'électron induit par effet de sel." Bordeaux 1, 1987. http://www.theses.fr/1987BOR10633.
Books on the topic "Théorie de la structure électronique":
Parr, Robert G. Density-functional theory of atoms and molecules. New York: Oxford University Press, 1989.
Yves, Jean. La structure électronique des molécules. 3rd ed. Paris: Dunod, 2003.
Demoulin, Marie. Commerce électronique: De la théorie à la pratique. Bruxelles: Bruylant, 2003.
Tocci, Ronald J. Circuits numériques: Théorie et applications. 2nd ed. Repentigny, Qué: Éditions R. Goulet, 1992.
Demoulin, Marie. Droit du commerce électronique et équivalents fonctionnels: Théorie critique. Bruxelles: Editions Larcier, 2014.
Stehlé, Jean-Luc. Structure et fonctionnement des ordinateurs: Théorie des langages. Paris: Edition Marketing, 1989.
Hans-Georg, Obenauer, Zribi-Hertz Anne, and Ambar Maria Manuela, eds. Structure de la phrase et théorie du liage. Saint-Denis, France: Presses Universitaires de Vincennes, 1992.
Harrison, Walter A. Elementary electronic structure. Singapore: World Scientific, 1999.
Fusaro, Magda. Commerce électronique: Comment créer la confiance : de la théorie à la pratique. Montréal, Qué: IQ, 2002.
Prunet, René. Structure de la matière, chimie inorganique: Théorie et application. Paris: Dunod, 1986.
Book chapters on the topic "Théorie de la structure électronique":
Kurrer, Karl-Eugen. "Comment la théorie de l’élasticité s’est imposée à l’analyse de la structure portante des voûtes dans les pays germanophones de 1860 a 1900." In Entre Mécanique et Architecture / Between Mechanics and Architecture, 331–48. Basel: Birkhäuser Basel, 1995. http://dx.doi.org/10.1007/978-3-0348-9072-4_19.
"L’équation de Dirac et le spin électronique." In La théorie quantique en images, 154. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-1697-2-090.
"L’équation de Dirac et le spin électronique." In La théorie quantique en images, 154. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-1697-2.c090.
"Chapitre 15 Théorie quantique du transport électronique." In Physique statistique hors d'équilibre, 449–76. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-0148-0-016.
"Chapitre 15 Théorie quantique du transport électronique." In Physique statistique hors d'équilibre, 449–76. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-0148-0.c016.
"2 Structure électronique d’une surface." In Les surfaces solides : concepts et méthodes, 109–30. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-0293-7-008.
"2 Structure électronique d’une surface." In Les surfaces solides : concepts et méthodes, 109–30. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-0293-7.c008.
"Chapitre 8 Théorie de Bloch-Boltzmann du transport électronique." In Physique statistique hors d'équilibre, 195–234. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-0148-0-009.
"Chapitre 8 Théorie de Bloch-Boltzmann du transport électronique." In Physique statistique hors d'équilibre, 195–234. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-0148-0.c009.
"Wolfgang Pauli : l’effet anormal de Zeeman, le spin électronique et le principe d’exclusion." In La théorie quantique en images, 94–95. EDP Sciences, 2020. http://dx.doi.org/10.1051/978-2-7598-1697-2-054.
Conference papers on the topic "Théorie de la structure électronique":
Andersson, Fred. "Groupe µ and “the system of plastic form” -for an evaluation-." In Le Groupe μ : quarante ans de rhétorique – trente-trois ans de sémiotique visuelle. Limoges: Université de Limoges, 2010. http://dx.doi.org/10.25965/as.3097.
Reports on the topic "Théorie de la structure électronique":
Bouchard St-Amant, Pier-André, Nicolas Bolduc, Judelin Michel Ducatel, and Guillaume Dumais. Application de la théorie de la taxation optimale à l’impôt québécois. CIRANO, August 2022. http://dx.doi.org/10.54932/sdvj5720.