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1دورية أكاديمية
المؤلفون: Heike Fliegl, Maria Dimitrova, Raphael J. F. Berger, Dage Sundholm
المصدر: Chemistry, Vol 3, Iss 3, Pp 1005-1021 (2021)
مصطلحات موضوعية: magnetically induced current densities, London orbitals, gauge-including atomic orbitals, nuclear magnetic shielding constants, Chemistry, QD1-999
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Ryo Nozawa, Jinseok Kim, Juwon Oh, Anna Lamping, Yemei Wang, Soji Shimizu, Ichiro Hisaki, Tim Kowalczyk, Heike Fliegl, Dongho Kim, Hiroshi Shinokubo
المصدر: Nature Communications, Vol 10, Iss 1, Pp 1-7 (2019)
مصطلحات موضوعية: Science
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2041-1723
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3
المؤلفون: Heike Fliegl, Maria Dimitrova, Dage Sundholm, Susi Lehtola
المصدر: Journal of Chemical Theory and Computation
مصطلحات موضوعية: Physics, Benchmarking, Data mining, Erratum, Physical and Theoretical Chemistry, computer.software_genre, computer, Computer Science Applications
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4
المؤلفون: Dage Matts Börje Sundholm, Heike Fliegl
المساهمون: Kadish, Karl M., Smith, Kevin M., Guilard, Roger, Department of Chemistry
مصطلحات موضوعية: 116 Chemical sciences
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cda4fa53a9085f334d43923911fd387
https://doi.org/10.1142/9789811246760_0218 -
5
المؤلفون: Hendrik Frisch, Heike Fliegl, Denis Danilov, Elaheh Sedghamiz, Christopher Barner-Kowollik, Wolfgang Wenzel
المصدر: Polymer chemistry, 11 (20), 3439–3445
مصطلحات موضوعية: chemistry.chemical_classification, Technology, Materials science, Polymers and Plastics, Transition temperature, Organic Chemistry, Nanoparticle, Bioengineering, Single chain, Polymer, Biochemistry, Synthetic polymer, Crystallography, Polymerization, chemistry, Tacticity, Intramolecular force, ddc:600
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e006fc1c575ea62b59afbbbe609fe1e
https://doi.org/10.1039/d0py00133c -
6
المؤلفون: Hiroyuki Kawashima, Hiroshi Shinokubo, Garrett Fitzsimmons, Heike Fliegl, Shusaku Ukai, Ryo Nozawa, Norihito Fukui, Tim Kowalczyk
المصدر: Journal of the American Chemical Society. 143(28)
مصطلحات موضوعية: chemistry.chemical_classification, Chemistry, Stacking, Aromaticity, General Chemistry, Orbital overlap, Biochemistry, Porphyrin, Catalysis, Bond length, chemistry.chemical_compound, Crystallography, Colloid and Surface Chemistry, Alkyl, Antiaromaticity, Cyclophane
وصف الملف: application/pdf
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7
المؤلفون: Dage Sundholm, Heike Fliegl, Maria Dimitrova, Susi Lehtola
المساهمون: Department of Chemistry, Doctoral Programme in Chemistry and Molecular Sciences
المصدر: Journal of chemical theory and computation, 17 (3), 1457–1468
Journal of Chemical Theory and Computationمصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics, Technology, Current (mathematics), 010304 chemical physics, Series (mathematics), Basis (linear algebra), 116 Chemical sciences, Mean absolute error, FOS: Physical sciences, 01 natural sciences, Article, Computer Science Applications, Numerical integration, Minnesota Functionals, Physics - Chemical Physics, Reference values, 0103 physical sciences, Statistical physics, Physical and Theoretical Chemistry, ddc:600, Second derivative
وصف الملف: application/pdf
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8
المؤلفون: Susi Lehtola, Radovan Bast, Dage Sundholm, Heike Fliegl, Maria Dimitrova, Rahul Kumar Jinger
المساهمون: Department of Chemistry
المصدر: The Journal of Physical Chemistry. a
The journal of physical chemistry/ A, 125 (8), 1778–1786 مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Technology, 010304 chemical physics, Physics::Instrumentation and Detectors, 116 Chemical sciences, FOS: Physical sciences, Computational Physics (physics.comp-ph), 010402 general chemistry, 01 natural sciences, Article, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Physics - Chemical Physics, 0103 physical sciences, Atom, Electromagnetic shielding, Cyclobutadiene, Physical and Theoretical Chemistry, Atomic physics, ddc:600, Physics - Computational Physics, Current density
وصف الملف: application/pdf
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9
المؤلفون: Heike Fliegl, Dage Sundholm, Rashid R. Valiev, Lenara I. Valiulina
المساهمون: Department of Chemistry
مصطلحات موضوعية: ENERGIES, 116 Chemical sciences, 010402 general chemistry, Ring (chemistry), Photochemistry, 01 natural sciences, Catalysis, DESIGN, CURRENT DENSITIES, Materials Chemistry, Molecule, chemistry.chemical_classification, 010405 organic chemistry, Chemistry, CHARACTER, PATHWAYS, Aromaticity, General Chemistry, Time-dependent density functional theory, 0104 chemical sciences, THERMOCHEMISTRY, Hydrocarbon, 13. Climate action, Excited state, Density functional theory, Antiaromaticity
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40bb27113deb0dfe01b8193f6fd0b9cf
http://hdl.handle.net/10138/336148 -
10
المؤلفون: Lukas N. Wirz, Heike Fliegl, Maria Dimitrova, Dage Sundholm
المساهمون: Department of Chemistry
المصدر: The Journal of Physical Chemistry Letters. 9:1627-1632
مصطلحات موضوعية: 116 Chemical sciences, 02 engineering and technology, COMPUTATION, 010402 general chemistry, Ring (chemistry), 114 Physical sciences, 01 natural sciences, Molecular physics, MOLECULES, symbols.namesake, CURRENT DENSITIES, PORPHYRINOIDS, Molecule, General Materials Science, Physics::Chemical Physics, Physical and Theoretical Chemistry, Twist, Topology (chemistry), BASIS-SETS, Writhe, Physics, HUCKEL, Linking number, Aromaticity, WORKSTATION COMPUTERS, CORRELATION-ENERGY, Annulene, 021001 nanoscience & nanotechnology, AROMATIC PATHWAYS, 0104 chemical sciences, symbols, 0210 nano-technology, APPROXIMATION