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المؤلفون: Roxana Judele, Mark Niemeyer, Sabine Laschat, Michael J. Dix, Angelika Baro, Klaus Doll, Dirk Menzel, Manfred Nimtz, Joachim Schoenes, Gertrud Zwicknagl
المصدر: Zeitschrift für anorganische und allgemeine Chemie. 634:299-310
مصطلحات موضوعية: Ligand field theory, Magnetic moment, Chemistry, Ligand, Charge density, Infrared spectroscopy, Magnetic susceptibility, Inorganic Chemistry, Metal, Crystallography, Computational chemistry, visual_art, visual_art.visual_art_medium, Density functional theory
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::2dabf124f24cad26d2505d24cbcdba03Test
https://doi.org/10.1002/zaac.200700394Test -
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المؤلفون: Gertrud Zwicknagl, M. Neef, Klaus Doll
المصدر: Journal of Physics: Condensed Matter. 18:7437-7447
مصطلحات موضوعية: Valence (chemistry), Condensed matter physics, Chemistry, General Materials Science, Density functional theory, Electronic structure, Condensed Matter Physics, Electronic band structure, Ground state, Basis set, Ansatz, Hybrid functional
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9844328ab917f92e555e3a1cdcf7d0dcTest
https://doi.org/10.1088/0953-8984/18/31/035Test -
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المؤلفون: Fabien Pascale, F.J. Torres, Roberto Dovesi, Klaus Doll, Loredana Valenzano, Claudio M. Zicovich-Wilson
المساهمون: Dipartimento di Chimica [Torino], Università degli studi di Torino (UNITO), Institut für Mathematische Physik (IMaPh), Technische Universität Braunschweig = Technical University of Braunschweig [Braunschweig], Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Universidad Autonoma del Estado de Morelos (UAEM)
المصدر: Zeitschrift für Physikalische Chemie
Zeitschrift für Physikalische Chemie, Oldenbourg Verlag, 2006, 220 (7_2006), pp.893-912. ⟨10.1524/zpch.2006.220.7.893⟩مصطلحات موضوعية: Calcite, Basis (linear algebra), Chemistry, Ab initio, 02 engineering and technology, Dielectric, Vibrational spectrum, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Mean difference, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Vibration, Crystal, Crystallography, chemistry.chemical_compound, Physical and Theoretical Chemistry, 0210 nano-technology
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a2c3b77e1fd15273192f58781ed477bTest
https://doi.org/10.1524/zpch.2006.220.7.893Test -
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المؤلفون: Klaus Doll, H. Nieber, Gertrud Zwicknagl
المصدر: The European Physical Journal B. 51:215-221
مصطلحات موضوعية: Condensed Matter - Materials Science, Materials science, Electronic correlation, Molecular cluster, Ligand, Ab initio, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Condensed Matter Physics, Molecular physics, Electronic, Optical and Magnetic Materials, Correlation, medicine, Cluster (physics), Ferric, Perturbation theory, medicine.drug
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86bf21292c0bbd52aad10701249001b2Test
https://doi.org/10.1140/epjb/e2006-00220-0Test -
35
المؤلفون: Klaus Doll, M. Neef
المصدر: Surface Science. 600:1085-1092
مصطلحات موضوعية: Ab initio, Surfaces and Interfaces, Condensed Matter Physics, Molecular physics, Surfaces, Coatings and Films, Hybrid functional, chemistry.chemical_compound, Adsorption, chemistry, Chemisorption, Materials Chemistry, Density functional theory, Atomic physics, Local-density approximation, HOMO/LUMO, Carbon monoxide
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::9d6a145ef48008a38b6211f2ebafe192Test
https://doi.org/10.1016/j.susc.2005.12.036Test -
36
المؤلفون: Timo Jacob, Bohdan Andriyevsky, Klaus Doll
المصدر: Physical chemistry chemical physics : PCCP. 16(42)
مصطلحات موضوعية: Condensed matter physics, Magnetism, Chemistry, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 7. Clean energy, 0104 chemical sciences, Ion, Hybrid functional, LITHIUM TRANSPORT, Crystal field theory, Volume expansion, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, Ground state
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93eceb94965f128d8bf31d0e6e4b3836Test
https://pubmed.ncbi.nlm.nih.gov/25264622Test -
37
المؤلفون: Roberto Orlando, Roberto Dovesi, Klaus Doll
المصدر: Theoretical Chemistry Accounts. 115:354-360
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics, Gaussian, Hartree–Fock method, FOS: Physical sciences, Electronic structure, Computational Physics (physics.comp-ph), Type (model theory), symbols.namesake, Atomic orbital, Computational chemistry, Physics - Chemical Physics, Quantum mechanics, Multi-configurational self-consistent field, symbols, Restricted open-shell Hartree–Fock, Physical and Theoretical Chemistry, Wave function, Physics - Computational Physics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ca112cf5a0143bd9ff9498849cc1e89Test
https://doi.org/10.1007/s00214-005-0063-3Test -
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المؤلفون: Klaus Doll
المصدر: Surface Science. 573:464-473
مصطلحات موضوعية: Condensed Matter - Materials Science, education.field_of_study, Chemistry, Population, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, chemistry.chemical_element, Thermodynamics, Surfaces and Interfaces, Condensed Matter Physics, Surfaces, Coatings and Films, Hybrid functional, Adsorption, Transition metal, Computational chemistry, Materials Chemistry, Density of states, Cluster (physics), Platinum, education, HOMO/LUMO
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cfd556a41150ecf85f34716dbf6e5a9Test
https://doi.org/10.1016/j.susc.2004.10.015Test -
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المؤلفون: M. Re, Angelo Belloli, Klaus Doll, Davide Pravettoni, E. Cavallone, Markus Hummel
المصدر: American Journal of Veterinary Research. 65:1319-1324
مصطلحات موضوعية: Blood Glucose, medicine.medical_specialty, Hydrocortisone, medicine.medical_treatment, Stomach Diseases, Cattle Diseases, Fatty Acids, Nonesterified, Biology, Glucagon, Abomasum, Insulin resistance, Internal medicine, Lactation, medicine, Animals, Insulin, Gastrointestinal tract, 3-Hydroxybutyric Acid, General Veterinary, Electromyography, General Medicine, medicine.disease, Endocrinology, medicine.anatomical_structure, Duodenum, Cattle, Female, Insulin Resistance, Ketosis, Gastrointestinal Motility
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e3ee997c98cdfcaa9949f2dd969aaf2Test
https://doi.org/10.2460/ajvr.2004.65.1319Test -
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المؤلفون: C. Richard A. Catlow, Iman Saadoune, Furio Corà, Klaus Doll
المصدر: Molecular Simulation. 30:607-615
مصطلحات موضوعية: chemistry.chemical_classification, Water dimer, Base (chemistry), Dopant, General Chemical Engineering, Inorganic chemistry, Ab initio, General Chemistry, Condensed Matter Physics, Catalysis, Adsorption, chemistry, Modeling and Simulation, Physical chemistry, General Materials Science, Lewis acids and bases, Brønsted–Lowry acid–base theory, Information Systems
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::089637b33f33107647b6f4ec66afa757Test
https://doi.org/10.1080/08927020410001717227Test
