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1دورية أكاديمية
المؤلفون: Julian Geiger, Albert Sabadell-Rendón, Nathan Daelman, Núria López
المصدر: npj Computational Materials, Vol 8, Iss 1, Pp 1-8 (2022)
مصطلحات موضوعية: Materials of engineering and construction. Mechanics of materials, TA401-492, Computer software, QA76.75-76.765
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2057-3960
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2
المؤلفون: Minttu Kauppinen, Nathan Daelman, Nuria Lopez, Karoliina Honkala
مصطلحات موضوعية: platina, hapetus, tiheysfunktionaaliteoria, single atom catalysts, Pt, CO oxidation, Catalysis, electronic ensemble, microkinetic analysis, katalyytit, katalyysi, Physical and Theoretical Chemistry, density functional theory, dynamic oxidation state, CeO2, hiilimonoksidi
وصف الملف: application/pdf; fulltext
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aed373369796ad5fce5c5346a8ea56ba
http://urn.fi/URN:NBN:fi:jyu-202305102944 -
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المؤلفون: Albert Sabadell-Rendón, Nuria Lopez, Julian Geiger, Nathan Daelman
المصدر: npj Computational Materials. 8
مصطلحات موضوعية: Mechanics of Materials, Modeling and Simulation, General Materials Science, Computer Science Applications
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4
المؤلفون: Weiming Wan, Julian Geiger, Nikolay Berdunov, Mauricio Lopez Luna, See Wee Chee, Nathan Daelman, Núria López, Shamil Shaikhutdinov, Beatriz Roldan Cuenya
المصدر: Angewandte Chemie International Edition
Angewandte Chemieمصطلحات موضوعية: General Medicine, General Chemistry, Catalysis
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::471a33f80c8fa8d0cf5a4da2fb3c6548
https://hdl.handle.net/21.11116/0000-000A-29E6-521.11116/0000-000A-7748-0 -
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المؤلفون: Weiming, Wan, Julian, Geiger, Nikolay, Berdunov, Mauricio, Lopez Luna, See Wee, Chee, Nathan, Daelman, Núria, López, Shamil, Shaikhutdinov, Beatriz, Roldan Cuenya
المصدر: Angewandte Chemie (International ed. in English). 61(20)
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6
المؤلفون: Tobias, Schäfer, Nathan, Daelman, Núria, López
المصدر: The Journal of Physical Chemistry Letters
مصطلحات موضوعية: Letter
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7
المؤلفون: Tobias Schäfer, Nathan Daelman, Núria López
مصطلحات موضوعية: Physics, Chemical Physics (physics.chem-ph), Condensed Matter - Materials Science, Electronic correlation, Ab initio, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Computational Physics (physics.comp-ph), Hybrid functional, Physics - Chemical Physics, Periodic boundary conditions, General Materials Science, Strongly correlated material, Density functional theory, Statistical physics, Physical and Theoretical Chemistry, Perturbation theory, Random phase approximation, Physics - Computational Physics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb8e0541d3645cfc63748284c6915ed6
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8
المؤلفون: Marçal Capdevila-Cortada, Núria López, Nathan Daelman
المصدر: RECERCAT (Dipòsit de la Recerca de Catalunya)
Recercat. Dipósit de la Recerca de Catalunya
instnameمصطلحات موضوعية: Materials science, 02 engineering and technology, engineering.material, 010402 general chemistry, 01 natural sciences, Catalysis, Metal, Molecular dynamics, Oxidation state, Atom, General Materials Science, Mechanical Engineering, Charge (physics), General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Mechanics of Materials, Chemical physics, visual_art, visual_art.visual_art_medium, engineering, Density functional theory, Noble metal, 0210 nano-technology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::649e1e8ff3a9504bf9cb75b6e7537502
http://hdl.handle.net/2072/368605 -
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المؤلفون: Nathan Daelman, Núria López, Marcos Rellán-Piñeiro, Rodrigo García-Muelas, Marçal Capdevila-Cortada, Franziska Simone Hegner
المصدر: The Journal of Chemical Physics. 152:050901
مصطلحات موضوعية: Materials science, 010304 chemical physics, Oxygen deficient, Degenerate energy levels, General Physics and Astronomy, Electronic structure, Electron, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Metal, Chemical physics, Group (periodic table), Vacancy defect, visual_art, 0103 physical sciences, visual_art.visual_art_medium, Physical and Theoretical Chemistry, Diffusion (business)
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المؤلفون: Nathan, Daelman, Marçal, Capdevila-Cortada, Núria, López
المصدر: Nature materials. 18(11)