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المؤلفون: Klaus Doll, Mohammadou Mérawa, Roberto Dovesi, Pierre Labéguerie, Piero Ugliengo
المصدر: Chemical Physics Letters. 387:453-459
مصطلحات موضوعية: Crystallography, Hydrogen bond, Chemistry, Group (periodic table), Ab initio, General Physics and Astronomy, Physical chemistry, Physical and Theoretical Chemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b5bbf56ae90df2354d62c76ce0cd584aTest
https://doi.org/10.1016/j.cplett.2004.01.123Test -
42
المؤلفون: Klaus Doll
المصدر: Surface Science. 544:103-120
مصطلحات موضوعية: Magnetic moment, chemistry.chemical_element, Charge density, Surfaces and Interfaces, Electronic structure, Condensed Matter Physics, Surface energy, Surfaces, Coatings and Films, Condensed Matter::Materials Science, Nickel, Adsorption, Atomic orbital, chemistry, Transition metal, Chemical physics, Materials Chemistry, Physical chemistry, Physics::Chemical Physics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::f9acb6c3843e72070e73aebece5f256aTest
https://doi.org/10.1016/j.susc.2003.07.008Test -
43
المؤلفون: Alessandro Erba, Klaus Doll, Agnes Mahmoud, Roberto Dovesi
المصدر: The Journal of chemical physics. 140(23)
مصطلحات موضوعية: Birefringence, Condensed matter physics, Ab initio, General Physics and Astronomy, Mineralogy, Silicate, Physics::Geophysics, law.invention, Crystal, chemistry.chemical_compound, chemistry, Ab initio quantum chemistry methods, law, Silicate minerals, Physical and Theoretical Chemistry, Hydrostatic equilibrium, Anisotropy
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::66a204a8a7ab84766e4b344be0257d8aTest
https://pubmed.ncbi.nlm.nih.gov/24952556Test -
44
المؤلفون: Klaus Doll
المصدر: The European Physical Journal B. 22:389-393
مصطلحات موضوعية: Condensed Matter - Materials Science, education.field_of_study, Materials science, Population, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, chemistry.chemical_element, Condensed Matter Physics, Copper, Electronic, Optical and Magnetic Materials, Bond length, Crystallography, Adsorption, chemistry, Covalent bond, Density of states, Local-density approximation, education, Metallic bonding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ee88d4ce62266b285a96f855901c5daTest
https://doi.org/10.1007/s100510170118Test -
45
المؤلفون: Klaus Doll
المصدر: Computer Physics Communications. 137:74-88
مصطلحات موضوعية: Physics, Crystal, Classical mechanics, Hardware and Architecture, Nuclear Theory, Hartree–Fock method, Code (cryptography), FOS: Physical sciences, General Physics and Astronomy, Computational Physics (physics.comp-ph), Physics - Computational Physics, Task (project management)
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d8df6b33d9bb7be87b80b324e64e7a7bTest
https://doi.org/10.1016/s0010-4655Test(01)00172-2 -
46
المؤلفون: Nicholas M. Harrison, Klaus Doll, V. R. Saunders
المصدر: International Journal of Quantum Chemistry. 82:1-13
مصطلحات موضوعية: Crystal, Code (set theory), Chemistry, Quantum mechanics, Hartree–Fock method, Physical and Theoretical Chemistry, Condensed Matter Physics, Atomic and Molecular Physics, and Optics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::1e7e81672f74a4ae6f745ead16cefb8cTest
https://doi.org/10.1002/1097-461xTest(2001)82:1<1::aid-qua1017>3.0.co;2-w -
47
المؤلفون: Pekka Pyykkoe, Klaus Doll, Hermann Stoll
المصدر: The Journal of Chemical Physics
مصطلحات موضوعية: Condensed Matter - Materials Science, Materials science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, General Physics and Astronomy, Thermodynamics, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Space (mathematics), 01 natural sciences, 0104 chemical sciences, Lattice constant, Group (periodic table), Physical and Theoretical Chemistry, 0210 nano-technology, Open shell
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86c3afedd19397fa25426d2ca0a2d8d2Test
https://doi.org/10.1063/1.476801Test -
48
المؤلفون: Krzysztof Rościszewski, Hermann Stoll, Peter Fulde, Klaus Doll, Beate Paulus
المصدر: Physical Review B. 57:14667-14672
مصطلحات موضوعية: Condensed Matter - Materials Science, Materials science, Condensed matter physics, Electronic correlation, Ab initio, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Condensed Matter::Materials Science, Lattice constant, Quadratic equation, Covalent bond, Rutile, Compressibility, Ground state
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47df520d49d1591e075150796b3b7168Test
https://doi.org/10.1103/physrevb.57.14667Test -
49
المؤلفون: Hermann Stoll, Klaus Doll
المصدر: Physical Review B. 56:10121-10127
مصطلحات موضوعية: Quantum chemical, Condensed Matter - Materials Science, Materials science, Ab initio, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Halide, Thermodynamics, Alkali metal, Diatomic molecule, Moduli, Crystal, Lattice constant, Physics::Atomic and Molecular Clusters, Physics::Chemical Physics, Atomic physics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::462df0849ecafa119d63fc43f399ebe8Test
https://doi.org/10.1103/physrevb.56.10121Test -
50
المؤلفون: Michael Dolg, Klaus Doll, Hermann Stoll, Peter Fulde
المصدر: Physical Review B. 55:10282-10288
مصطلحات موضوعية: Quantum chemical, Condensed Matter - Materials Science, Lattice constant, Materials science, Transition metal, Condensed matter physics, Non-blocking I/O, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Physics::Atomic Physics, Ground state, Cohesive energy, Stability (probability)
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e8499eca958b42332ff1dcbd1ae9bfbTest
https://doi.org/10.1103/physrevb.55.10282Test