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المؤلفون: Schienbein, Philipp
مصطلحات موضوعية: Theoretische Chemie, Phasengleichgewicht, 540 Chemie, Kristallographie, Mineralogie, ddc:540, Thermodynamik, FT-IR-Spektroskopie, Molekulardynamik
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86886ec667cb7ab6fb8fbdbbd36a0154
https://hss-opus.ub.ruhr-uni-bochum.de/opus4/frontdoor/index/index/docId/9854 -
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المؤلفون: Hoche, Joscha
مصطلحات موضوعية: Theoretische Chemie, 541 Physikalische Chemie, ddc:541
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8270e040ce8ddb516aaf007324d8ef02
https://opus.bibliothek.uni-wuerzburg.de/files/31684/Hoche_Joscha_Dissertation.pdf -
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المؤلفون: Wagner, Sebastian
المساهمون: Sundermeyer, Jörg (Prof. Dr.)
مصطلحات موضوعية: Theoretische Chemie, Organocatalysis, Basicity, Organokatalyse, Chemie, Synthese, Katalyse, Ligands, Superbasen, Organische Chemie, Catalysis, Synthesis, Computational Chemistry, Metallorganische Chemie, Anorganische Chemie, Superbases, Basizität, Liganden, Chemistry + allied sciences, ddc:540, Chemistry & allied sciences
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::103506c4473c4b7f679fc078e17c0f6c
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4
المؤلفون: Muyiwa Kehinde Bamgbose, Funmilayo Ayedun, Gbenro Timothy Solola, Abolore Adebayo Musari, Stephane Kenmoe, Gboyega Augustine Adebayo
المصدر: Crystals; Volume 13; Issue 1; Pages: 37
مصطلحات موضوعية: Inorganic Chemistry, first-principles -- elastic -- thermoelectric -- electronic -- phonon -- compounds, General Chemical Engineering, ddc:540, first-principles, elastic, thermoelectric, electronic, phonon, compounds, Chemie, General Materials Science, Condensed Matter Physics, Fakultät für Chemie » Theoretische Chemie
وصف الملف: application/pdf
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المؤلفون: Mühlbauer, Max Emanuel
المساهمون: Kaila, Ville R. I. (Prof. Dr.), Groll, Michael (Prof. Dr.)
مصطلحات موضوعية: Bioenergetik, Atmungskette, MD Simulationen, Protonentransfer, Ionentransfer, Theoretische Chemie, Proteindesign, ddc:540, Chemie, bioenergetics, respiratory chain, MD simulations, computational chemistry, proton transfer, ion transfer, protein design
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______518::c82e25b2aed9d2a6178a30729767484c
https://mediatum.ub.tum.de/doc/1650277/document.pdf -
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المؤلفون: Giraldo Nohra, Felipe
المساهمون: Jansen, Georg, Jansen, Georg (Akademische Betreuung)
مصطلحات موضوعية: Theoretische Chemie, Theoretische Chemie -- Molekularwechselwirkungen -- Dotierung Agenten -- Polypyrrol -- Heptafluorotantalat -- Polypyrrole -- Heptafluorotantalate -- Molecular interactions -- Dopant agents -- DFT -- Møller-Plesset methods, Chemie, Polypyrrole, DFT, Fakultät für Chemie » Theoretische Chemie, Dopant agents, Møller-Plesset methods, Molekularwechselwirkungen, Polypyrrol, Heptafluorotantalat, ddc:540, Molecular interactions, Dotierung Agenten, Heptafluorotantalate
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::999190935cc65a07958cb57b531fff85
https://duepublico2.uni-due.de/servlets/MCRFileNodeServlet/duepublico_derivate_00074633/Diss_Giraldo_Nohra.pdf -
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المؤلفون: Stephane Kenmoe, Dick Hartmann Douma, Abdulrafiu Tunde Raji, Bernard M’Passi-Mabiala, Thomas Götsch, Frank Girgsdies, Axel Knop-Gericke, Robert Schlögl, Eckhard Spohr
المصدر: Nanomaterials
Nanomaterials; Volume 12; Issue 6; Pages: 921مصطلحات موضوعية: General Chemical Engineering, ddc:540, ddc:660, X-ray absorption, cobalt tetraoxide, density functional theory, projector augmented wave method, dipole transition, K-edge spectrum, X-ray diffraction, Quantum-ESPRESSO, Condensed Matter::Strongly Correlated Electrons, General Materials Science, Fakultät für Chemie » Theoretische Chemie, Forschungszentren » Center for Computational Sciences and Simulation (CCSS), X-ray absorption -- cobalt tetraoxide -- density functional theory -- projector augmented wave method -- dipole transition -- K-edge spectrum -- X-ray diffraction -- Quantum-ESPRESSO
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::118b0c472f9c3156a6a62460ea50f662
https://duepublico2.uni-due.de/receive/duepublico_mods_00076514 -
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المؤلفون: Paul O. Adebambo, Bamidele I. Adetunji, Oghenekevwe T. Uto, Stephane Kenmoe, Gboyega A. Adebayo
المصدر: Crystals; Volume 12; Issue 12; Pages: 1838
مصطلحات موضوعية: Inorganic Chemistry, General Chemical Engineering, ddc:540, phonon dispersion, PDOS, mechanical properties, power factor, figure of merit, Chemie, General Materials Science, phonon dispersion -- PDOS -- mechanical properties -- power factor -- figure of merit, condensed_matter_physics, Condensed Matter Physics, Fakultät für Chemie » Theoretische Chemie
وصف الملف: application/pdf
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9
مصطلحات موضوعية: Theoretische Chemie, Organocatalysis, Astrochemie, Pauli Repulsion, Chemische Binding, Organic Chemistry, Reactivity, Diels-Alder Reactie, Organokatalyse, Lewis Acid Catalysis, Chemical Bond, Organische Chemie, Reactiviteit, Pauli Repulsie, Diels-Alder Reaction, Lewiszuur Katalyse, Theoretical Chemistry, Activeringsspanningmodel, Activation Strain Model, Astrochemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______4612::ebe00d2d404b5943407e25c49edb2cdc
https://research.vu.nl/en/publications/e3ca0ab0-1b23-410d-bce7-ccaccce3013b -
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المؤلفون: Vermeeren, Pascal
المساهمون: Bickelhaupt, FM, Hamlin, Trevor A., AIMMS, Theoretical Chemistry
المصدر: Vermeeren, P 2022, ' (Astro)Chemistry : From Molecules to Reactions ', Dr., Vrije Universiteit Amsterdam, s.l. .
مصطلحات موضوعية: Theoretische Chemie, Organocatalysis, Astrochemie, Pauli Repulsion, Chemische Binding, Organic Chemistry, Reactivity, Diels-Alder Reactie, Organokatalyse, Lewis Acid Catalysis, Chemical Bond, Organische Chemie, Reactiviteit, Pauli Repulsie, Diels-Alder Reaction, Lewiszuur Katalyse, Theoretical Chemistry, Activeringsspanningmodel, Activation Strain Model, Astrochemistry
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::072e244e7801651774f02cda57ae881d
https://hdl.handle.net/1871.1/e3ca0ab0-1b23-410d-bce7-ccaccce3013b