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1
المؤلفون: Khaled E. El-Kelany, Tarek Larbi, Mosbah Amlouk, Klaus Doll
المصدر: Journal of Raman Spectroscopy. 51:232-242
مصطلحات موضوعية: Yttrium sesquioxide, symbols.namesake, Materials science, Structural stability, Chemical physics, Molecular vibration, Monolayer, Ab initio, symbols, General Materials Science, Raman spectroscopy, Quantum, Spectroscopy
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::b455761ba61c3bd38738ddf4107a09e4Test
https://doi.org/10.1002/jrs.5778Test -
2
المؤلفون: Mosbah Amlouk, Klaus Doll, T. Larbi, Khaled E. El-Kelany
المصدر: Vibrational Spectroscopy. 97:24-32
مصطلحات موضوعية: Nanotube, Materials science, Phonon, Ab initio, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Beryllium sulfide, 0104 chemical sciences, Condensed Matter::Materials Science, chemistry.chemical_compound, chemistry, Molecular vibration, Monolayer, Physics::Atomic and Molecular Clusters, Density functional theory, Physics::Chemical Physics, 0210 nano-technology, Spectroscopy, Basis set
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::239fa89176a6035d9b9343d28f7161b1Test
https://doi.org/10.1016/j.vibspec.2018.05.005Test -
3
المؤلفون: Klaus Doll, Dragana Jordanov, Jelena Zagorac, Branko Matović, Dejan Zagorac
المصدر: Inorganic Chemistry
مصطلحات موضوعية: Structural phase, Ab initio, chemistry.chemical_element, Mineralogy, Barium sulfide, Barium, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Metastability, visual_art, visual_art.visual_art_medium, Physical chemistry, Ceramic, Physical and Theoretical Chemistry, 0210 nano-technology, Electronic properties
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ba6dcb377c6c1dec9a69c7fc87bbfc8Test
https://doi.org/10.1021/acs.inorgchem.7b01617Test -
4
المؤلفون: I. Toumi, Mosbah Amlouk, Klaus Doll, T. Larbi
المصدر: Surfaces and Interfaces. 24:101087
مصطلحات موضوعية: Materials science, Davidson correction, Ab initio, General Physics and Astronomy, Multireference configuration interaction, 02 engineering and technology, Surfaces and Interfaces, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Molecular physics, 0104 chemical sciences, Surfaces, Coatings and Films, Hybrid functional, Excited state, Density functional theory, Physics::Chemical Physics, 0210 nano-technology, Ground state, Basis set
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::c939a6795945332ec76423bc4391b08dTest
https://doi.org/10.1016/j.surfin.2021.101087Test -
5
المؤلفون: Klaus Doll, Bohdan Andriyevsky, Timo Jacob
المصدر: Materials Chemistry and Physics. 185:210-217
مصطلحات موضوعية: Condensed Matter::Quantum Gases, Chemistry, Diffusion, Inorganic chemistry, Ab initio, Physics::Optics, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Ion, Crystal, Tetragonal crystal system, Molecular dynamics, Physics::Atomic and Molecular Clusters, Astrophysics::Solar and Stellar Astrophysics, Physical chemistry, General Materials Science, Density functional theory, Lithium, Physics::Atomic Physics, 0210 nano-technology
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::757889a84f46ba417f19c97a125bfd00Test
https://doi.org/10.1016/j.matchemphys.2016.10.025Test -
6
المؤلفون: Bohdan Andriyevsky, Klaus Doll, Martin Jansen, T. Pilz
المصدر: Journal of Physics and Chemistry of Solids. 74:624-629
مصطلحات موضوعية: Crystal, Bulk modulus, Valence (chemistry), Chemistry, Ab initio, General Materials Science, General Chemistry, Local-density approximation, Atomic physics, Condensed Matter Physics, Electronic band structure, Mulliken population analysis, Hybrid functional
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::ae1fb3cc9f0191cde0e6dcf297aaf128Test
https://doi.org/10.1016/j.jpcs.2012.12.017Test -
7
المؤلفون: T. Pilz, Bohdan Andriyevsky, Martin Jansen, Jeongho Yeon, Klaus Doll, P.S. Halasyamani
المصدر: Journal of Physics and Chemistry of Solids. 74:616-623
مصطلحات موضوعية: Materials science, Ab initio, chemistry.chemical_element, Second-harmonic generation, General Chemistry, Dielectric, Condensed Matter Physics, Piezoelectricity, Molecular physics, Ferroelectricity, Pyroelectricity, chemistry, Computational chemistry, General Materials Science, Lithium, Order of magnitude
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9ea8df2f02a2eb767f4673aac9dea0abTest
https://doi.org/10.1016/j.jpcs.2012.12.016Test -
8
المؤلفون: Martin Jansen, Klaus Doll, J. Christian Schön, Dejan Zagorac
المصدر: Chemistry - A European Journal. 18:10929-10936
مصطلحات موضوعية: Steric effects, Electron pair, Organic Chemistry, Inorganic chemistry, Ab initio, Energy landscape, General Chemistry, Catalysis, chemistry.chemical_compound, chemistry, Chemical physics, Metastability, Density functional theory, Lead sulfide, Lone pair
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::65e1978d603652c55f02fcbcf7990748Test
https://doi.org/10.1002/chem.201200180Test -
9
المؤلفون: Johann Christian Schön, Klaus Doll, Sridhar Neelamraju, Martin Jansen
المصدر: Phys. Chem. Chem. Phys.. 14:1223-1234
مصطلحات موضوعية: Work (thermodynamics), Chemistry, Ab initio, General Physics and Astronomy, Energy landscape, Trimer, Stability (probability), Crystal structure prediction, Chemical physics, Atom, Physics::Atomic and Molecular Clusters, Physical and Theoretical Chemistry, Atomic physics, Energy (signal processing)
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db3f75b2235d26cc35331555f3f2ea21Test
https://doi.org/10.1039/c1cp22446hTest -
10
المؤلفون: Klaus Doll, Hermann Stoll
المصدر: Chemical Physics Letters. 501:283-286
مصطلحات موضوعية: Quantitative Biology::Neurons and Cognition, Chemistry, Ab initio, Shell (structure), General Physics and Astronomy, Molecular physics, Moduli, Metal, Lattice constant, Group (periodic table), visual_art, visual_art.visual_art_medium, Physical and Theoretical Chemistry, Atomic physics, Wave function, Mixing (physics)
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::5ce6821beb8fbaeef7e0ebbfb2eec7f4Test
https://doi.org/10.1016/j.cplett.2010.11.014Test