Auswahl der wissenschaftlichen Literatur zum Thema „Logiciel de chimie HSC“
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Zeitschriftenartikel zum Thema "Logiciel de chimie HSC"
Oulghazi, Merieme, Meysara El Malki, Abderrahim Ghouldan, Mariam Naciri und Abdellah Ichen. „Évolution de l’occupation du sol des mares temporaires dans la suberaie de Maâmora et la province de Benslimane (Maroc) / Evolution of the land use of temporary ponds in the Maâmora cork oak forest and the Benslimane Province (Morocco)“. Ecologia mediterranea 48, Nr. 2 (2022): 41–51. http://dx.doi.org/10.3406/ecmed.2022.2153.
Der volle Inhalt der QuelleGortz, Julia Santana, Salvador Rodrigues Taty, Amanda Alves Fecury, Carla Viana Dendasck, Euzébio de Oliveira und Claudio Alberto Gellis de Mattos Dias. „Chimie au lycée et Enem: une comparaison des programmes“. Revista Científica Multidisciplinar Núcleo do Conhecimento, 04.03.2021, 89–99. http://dx.doi.org/10.32749/nucleodoconhecimento.com.br/education-fr/comparaison-des-programmes.
Der volle Inhalt der QuelleDissertationen zum Thema "Logiciel de chimie HSC"
Fosu, Allen Yushark. „Development of a Chloride Route for Lithium Extraction from Spodumene“. Electronic Thesis or Diss., Université de Lorraine, 2023. http://www.theses.fr/2023LORR0094.
Der volle Inhalt der QuelleLithium is a major component of Li-ion batteries, used in the manufacture of many portable electronic devices. The energy transition is driving the shift from thermal to electric and hybrid vehicles, which relies mainly on the use of Li-ion batteries for reversible energy storage. The development of electric vehicles based on lithium-ion technology is responsible for a record demand for lithium salt (mainly lithium carbonate and hydroxide). Spodumene is the main source of lithium from ores. Its processing requires a phase transformation from α-form to β-form, followed by roasting leading to the formation of a lithium salt after a leaching, purification, and recovery steps. In this thesis, spodumene concentrate from the Pilbara region of Western Australia was characterized for thermal and hydrometallurgical processing. Heat treatment is responsible for the formation of cracks in the grains which become more noticeable with increasing temperature. Disintegration of the material, melting and agglomeration with minerals contained in the gangue have also been observed by increasing the temperature up to 1050 °C. Apparent activation energies of 655±20 kJ mol-1 was calculated for the transformation of α-spodumene which confirms a strong temperature dependence for polymorphic transformations of spodumene. Subsequently, we investigated an alternative route to conventional methods (sulphuric acid process) to treat the spodumene concentrate with the aim of reducing the high energy consumption of the phase transformation and sulphate roasting steps. This was achieved by direct chlorination of α-spodumene with calcium chloride, followed by water leaching of the residue to recover lithium chloride. Analysis of the residue obtained after leaching indicated that the α-form was the only polymorph present, suggesting that extraction occurs directly from the α-phase. Under optimal conditions, heat treatment at 1000 °C for 60 minutes of the spodumene concentrate in the presence of calcium chloride at a calcium chloride/spodumene molar ratio of 2.0 is required to extract nearly 90% of lithium and recover 85% in the leach liquor. An apparent activation energy of about 122±6 kJ mol-1 was calculated for temperatures ranging from 800 to 950 ℃. The liquor obtained after leaching was purified by ion exchange and solvent extraction to recover lithium chloride of sufficient purity for consideration as a precursor in the production of lithium-ion battery materials
Fischer, Dominique. „Enseignement assiste par ordinateur : conception d'un logiciel d'assistance aux travaux diriges de chimie en deug“. Université Louis Pasteur (Strasbourg) (1971-2008), 1993. http://www.theses.fr/1993STR13147.
Der volle Inhalt der QuelleBournez, Colin. „Conception d'un logiciel pour la recherche de nouvelles molécules bioactives“. Thesis, Orléans, 2019. http://www.theses.fr/2019ORLE3043.
Der volle Inhalt der QuelleKinases belong to a family of proteins greatly involved in several aspects of cell control including division or signaling. They are often associated with serious pathologies such as cancer. Therefore, they represent important therapeutic targets in medicinal chemistry. Currently, it has become difficult to design new innovative kinase inhibitors, particularly since the active site of these proteins share a great similarity causing selectivity issues. One of the main used experimental method is fragment-based drug design. Thus, we developed our own software, Frags2Drugs, which uses this approach to build bioactive molecules. Frags2Drugs relies on publicly available experimental data, especially co-crystallized ligands bound to protein kinase structure. We first developed a new fragmentation method to acquire our library composed of thousands of three-dimensional fragments. Our library is then stored as a graph object where each fragment corresponds to a node and each relation, representing a possible chemical bond between fragments, to a link between the two concerned nodes. We have afterwards developed an algorithm to calculate all possible combinations between each available fragment, directly in the binding site of the target. Our program Frags2Drugs can quickly create thousands of molecules from an initial user-defined fragment (the seed). In addition, many methods for filtering the results, in order to retain only the most promising compounds, were also implemented. The software were validated on three protein kinases involved in different cancers. The proposed molecules were then synthesized and show excellent in vitro activity
Macherel, Luc. „Modélisation de la chromatographie liquide non-linéaire : application à l'optimisation de la séparation préparative d'un mélange binaire“. Lyon 1, 1991. http://www.theses.fr/1991LYO10219.
Der volle Inhalt der QuelleBarberis, Frédéric. „Recherche de stratégies de synthèse par ordinateur : le logiciel HOLOWin, étude de la connexion aux bases de réactions REACCS et ISI“. Aix-Marseille 3, 1997. http://www.theses.fr/1997AIX30063.
Der volle Inhalt der QuelleJauffret, Philippe. „Le transfert d'expertise : Application à la réalisation d'un système d'aide à la synthèse en chimie organique“. Nancy 1, 1987. http://www.theses.fr/1987NAN10191.
Der volle Inhalt der QuelleDevatine, Audrey. „Maîtrise de l'acidité des vins : désacification par précipitation de malates de calcium et simulation des équilibres physico-chimiques à l'aide du logiciel Mextar“. Toulouse, INPT, 2002. http://www.theses.fr/2002INPT036G.
Der volle Inhalt der QuelleKhalil, Georges. „Synthèse et modélisation thermodynamique de nouvelles architectures supramoléculaires colorées basées sur des motifs TiO4N2“. Thesis, Strasbourg, 2015. http://www.theses.fr/2015STRAF065/document.
Der volle Inhalt der QuelleThe subject of this thesis belongs to the field of metallosupramolecular chemistry. We have developed a self-assembled chemistry in order to create multicomponent architectures formed around TiO4N2 units. From a synthetic point of view, the major goal of this work was to analyse the consequences of structural variations performed on one component on the resulting self- assembled architectures. These variations involved the 2,2'-bipyrimidine ligand as this ligand was employed to create a circular helicate [Ti3(L)3(bpym)3], which was used as a reference compound throughout this thesis. The first factor considered concerns the introduction of groups of different sizes on the backbone of the 2,2'-bipyrimidine. Then, the consequence of a ring size reduction of the nitrogenous bidentate ligand was evaluated. Finally, the denticity of the nitrogenous ligand was changed. The second aim of this thesis was to model the enthalpy and entropy factors governing these self-assembled reactions driven by titanium (IV) centers. We were able to propose a general thermodynamic modeling methodology by using the PACHA software, through the sole knowledge of crystalline structures of the starting and final products
Nourtier-Mazauric, Elise. „Modélisation géochimique et numérique des interactions entre des solutions solides et une solution aqueuse. Extension du logiciel de réaction-transport Archimède et application à la diagenèse des réservoirs“. Saint-Etienne, EMSE, 2003. http://tel.archives-ouvertes.fr/tel-00088991.
Der volle Inhalt der QuelleThis thesis presents a thermodynamic and kinetic model of interactions between a fluid and ideal solid solutions represented by several end-members. The reaction between a solid solution and the aqueous solution results from the competition between the stoechiometric dissolution of the initial solid solution and the initial solid solution and the coprecipitation of the least soluble solid solution in the fluid at considered time. This model was implemented in archimede, a computer code of reactive transport in porous media, then applied to various examples. In the case of binary solid solutions, a graphical method allowed to determine the compositions of the precipitating solid solutions, by means of the end-member chemical potentials. The obtained program could be used to notably model the diagenesis of clayey or carbonated oil reservoirs, or the ground pollutant dispersion
Melkior, Thierry. „Etude méthodologique de la diffusion de cations interagissant dans des argiles : application : mise en œuvre expérimentale et modélisation du couplage chimie-diffusion d'alcalins dans une bentonite synthétique“. Châtenay-Malabry, Ecole centrale de Paris, 1999. http://www.theses.fr/1999ECAP0652.
Der volle Inhalt der QuelleBücher zum Thema "Logiciel de chimie HSC"
Billo, E. Joseph. Excel for chemists: A comprehensive guide. 2. Aufl. New York: Wiley-VCH, 2001.
Den vollen Inhalt der Quelle findenBillo, E. Joseph. Excel for chemists: A comprehensive guide. New York: Wiley-VCH, 1997.
Den vollen Inhalt der Quelle findenOntario. Esquisse de cours 12e année: Chimie sch4c cours précollégial. Vanier, Ont: CFORP, 2002.
Den vollen Inhalt der Quelle findenOntario. Esquisse de cours 12e année: Chimie sch4 cours préuniversitaire. Vanier, Ont: CFORP, 2002.
Den vollen Inhalt der Quelle findenLevie, Robert De. How to use Excel in analytical chemistry and in general scientific data analysis. Cambridge: Cambridge University Press, 2001.
Den vollen Inhalt der Quelle findenOntario. Esquisse de cours 12e année: Sciences de l'activité physique pse4u cours préuniversitaire. Vanier, Ont: CFORP, 2002.
Den vollen Inhalt der Quelle findenOntario. Esquisse de cours 12e année: Technologie de l'information en affaires btx4e cours préemploi. Vanier, Ont: CFORP, 2002.
Den vollen Inhalt der Quelle findenOntario. Esquisse de cours 12e année: Études informatiques ics4m cours préuniversitaire. Vanier, Ont: CFORP, 2002.
Den vollen Inhalt der Quelle findenOntario. Esquisse de cours 12e année: Mathématiques de la technologie au collège mct4c cours précollégial. Vanier, Ont: CFORP, 2002.
Den vollen Inhalt der Quelle findenOntario. Esquisse de cours 12e année: Sciences snc4m cours préuniversitaire. Vanier, Ont: CFORP, 2002.
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