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1دورية أكاديمية
المؤلفون: Christian Carbogno, Kristian Sommer Thygesen, Björn Bieniek, Claudia Draxl, Luca M. Ghiringhelli, Andris Gulans, Oliver T. Hofmann, Karsten W. Jacobsen, Sven Lubeck, Jens Jørgen Mortensen, Mikkel Strange, Elisabeth Wruss, Matthias Scheffler
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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2دورية أكاديمية
المؤلفون: Yu Li Huang, Elisabeth Wruss, David A. Egger, Satoshi Kera, Nobuo Ueno, Wissam A. Saidi, Tomas Bucko, Andrew T.S. Wee, Egbert Zojer
المصدر: Molecules, Vol 19, Iss 3, Pp 2969-2992 (2014)
مصطلحات موضوعية: phthalocyanine, metal/organic interface, van der Waals interaction, quantum-mechanical simulation, band-structure, hybrid functional, ultraviolet photoelectron spectroscopy, Organic chemistry, QD241-441
وصف الملف: electronic resource
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3
المؤلفون: Oliver T. Hofmann, Elisabeth Wruss, Lukas Hörmann
المصدر: The Journal of Physical Chemistry C. 123:7118-7124
مصطلحات موضوعية: Surface (mathematics), Work (thermodynamics), Materials science, Ideal (set theory), Charge (physics), 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Metal, General Energy, Chemical physics, visual_art, visual_art.visual_art_medium, Inorganic organic, Physical and Theoretical Chemistry, 0210 nano-technology
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4
المؤلفون: Christian Carbogno, Kristian Sommer Thygesen, Björn Bieniek, Claudia Draxl, Luca M. Ghiringhelli, Andris Gulans, Oliver T. Hofmann, Karsten W. Jacobsen, Sven Lubeck, Jens Jørgen Mortensen, Mikkel Strange, Elisabeth Wruss, Matthias Scheffler
المصدر: npj Computational Materials
Carbogno, C, Thygesen, K S, Bieniek, B, Draxl, C, Ghiringhelli, L M, Gulans, A, Hofmann, O T, Jacobsen, K W, Lubeck, S, Mortensen, J J, Strange, M, Wruss, E & Scheffler, M 2022, ' Numerical quality control for DFT-based materials databases ', npj Computational Materials, vol. 8, 69 . https://doi.org/10.1038/s41524-022-00744-4مصطلحات موضوعية: Condensed Matter - Materials Science, Mechanics of Materials, Modeling and Simulation, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, General Materials Science, Computational Physics (physics.comp-ph), Physics - Computational Physics, Computer Science Applications
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e57dc3c434e4ed9d82692b5f1963076
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5
المؤلفون: Egbert Zojer, Leeor Kronik, David Egger, Georgia Prokopiou, Elisabeth Wruss, Oliver T. Hofmann
مصطلحات موضوعية: Quenching, Materials science, Physics and Astronomy (miscellaneous), Magnetic moment, ddc:530, 02 engineering and technology, Substrate (electronics), 021001 nanoscience & nanotechnology, 530 Physik, 01 natural sciences, Adsorption, Chemical physics, 0103 physical sciences, Molecule, General Materials Science, Density functional theory, Electron configuration, 010306 general physics, 0210 nano-technology, Open shell
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::738df5a4d34bce5dfd45fbb8cc868b29
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6
المؤلفون: Egbert Zojer, Elisabeth Wruss, Oliver T. Hofmann
مصطلحات موضوعية: Materials science, Observable, Charge (physics), 02 engineering and technology, Electron, 021001 nanoscience & nanotechnology, 01 natural sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Hybrid functional, General Energy, Transition point, Polarizability, Chemical physics, 0103 physical sciences, Molecule, Density functional theory, Physical and Theoretical Chemistry, 010306 general physics, 0210 nano-technology
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09d61ef5fe63bffdb493fd14f2924d5e
http://openlib.tugraz.at/5fa0536e0d5ae -
7
المؤلفون: Elisabeth, Wruss, Oliver T, Hofmann, David A, Egger, Elisabeth, Verwüster, Alexander, Gerlach, Frank, Schreiber, Egbert, Zojer
المصدر: The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
مصطلحات موضوعية: Article
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8
المؤلفون: Elisabeth Wruss, Elisabeth Verwüster, Oliver T. Hofmann, Egbert Zojer
المصدر: The Journal of Chemical Physics. 147:024706
مصطلحات موضوعية: Chemistry, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Electrostatics, 01 natural sciences, 0104 chemical sciences, symbols.namesake, Chemical physics, Computational chemistry, Intramolecular force, Potential energy surface, Monolayer, symbols, Molecule, Density functional theory, Self-assembly, Physical and Theoretical Chemistry, van der Waals force, 0210 nano-technology
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9
المؤلفون: Zojer, Yu Huang, Elisabeth Wruss, David Egger, Satoshi Kera, Nobuo Ueno, Wissam Saidi, Tomas Bucko, Andrew Wee, Egbert
المصدر: Molecules; Volume 19; Issue 3; Pages: 2969-2992
مصطلحات موضوعية: phthalocyanine, metal/organic interface, van der Waals interaction, quantum-mechanical simulation, band-structure, hybrid functional, ultraviolet photoelectron spectroscopy
وصف الملف: application/pdf