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1دورية أكاديمية
المصدر: IUCrJ, Vol 11, Iss 1, Pp 45-56 (2024)
مصطلحات موضوعية: transition metal hydride complexes, hirshfeld atom refinement, shade3, nomore, Crystallography, QD901-999
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Phillip Miguel Kofoed, Anna A. Hoser, Frederik Diness, Silvia C. Capelli, Anders Østergaard Madsen
المصدر: IUCrJ, Vol 6, Iss 4, Pp 558-571 (2019)
مصطلحات موضوعية: conformational polymorphs, vibrational contributions to free energy, lattice dynamical models, ADPs refinement, DFT calculations, Crystallography, QD901-999
وصف الملف: electronic resource
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3دورية أكاديمية
المؤلفون: Monika Wanat, Maura Malinska, Anna A. Hoser, Krzysztof Woźniak
المصدر: Molecules, Vol 26, Iss 12, p 3730 (2021)
مصطلحات موضوعية: multipole model, normal mode refinement, Hirshfeld atom refinement, transferable aspherical atom model, charge density, Organic chemistry, QD241-441
وصف الملف: electronic resource
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4دورية أكاديمية
المؤلفون: W. Fabiola Sanjuan-Szklarz, Anna A. Hoser, Matthias Gutmann, Anders Østergaard Madsen, Krzysztof Woźniak
المصدر: IUCrJ, Vol 3, Iss 1, Pp 61-70 (2016)
مصطلحات موضوعية: X-ray diffraction results, precision, independent atom model, transferable aspherical atom model, geometric parameters, TLS analysis, Crystallography, QD901-999
وصف الملف: electronic resource
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5
المؤلفون: Sławomir Antonii Bojarowski, Barbara Gruza, Damian Trzybiński, Radosław Kamiński, Anna Agnieszka Hoser, Prashant Kumar, Krzysztof Woźniak, Paulina Maria Dominiak
المصدر: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 78:823-834
مصطلحات موضوعية: Materials Chemistry, Metals and Alloys, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials
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6
المؤلفون: Anna Agnieszka Hoser, Toms Rekis, Anders Østergaard Madsen
المصدر: Hoser, A A, Rekis, T & Madsen, A Ø 2022, ' Dynamics and disorder : on the stability of pyrazinamide polymorphs ', Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. 78, pp. 416-424 . https://doi.org/10.1107/S2052520622004577
مصطلحات موضوعية: Entropy, Metals and Alloys, Enantiotropism, Periodic density functional theory, Crystallography, X-Ray, Condensed Matter Physics, Pyrazinamide, Quantum crystallography, Biochemistry, Phase Transition, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Inorganic Chemistry, Structural Biology, Normal-mode refinement, Materials Chemistry, Thermodynamics, General Materials Science, Polymorphism, Physical and Theoretical Chemistry
وصف الملف: application/pdf
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7
المؤلفون: Sławomir Antonii Bojarowski, Barbara Gruza, Damian Trzybiński, Radosław Kamiński, Anna Agnieszka Hoser, Prashant Kumar, Krzysztof Woźniak, Paulina Maria Dominiak
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::987dc7f55a15ec665669bf3d10fffd51
https://doi.org/10.26434/chemrxiv-2022-l5ql7 -
8
المؤلفون: Lorraine A. Malaspina, Kunihisa Sugimoto, Jason R. Price, Michael J. Turner, Alison J. Edwards, Hans Beat Bürgi, Anna A. Hoser, Eiji Nishibori, Magdalena Woińska, Simon Grabowsky, Dylan Jayatilaka
المصدر: CrystEngComm. 22:4778-4789
مصطلحات موضوعية: Electron density, Materials science, Hydrogen, 010405 organic chemistry, Hydrogen bond, Neutron diffraction, chemistry.chemical_element, Geometry, General Chemistry, Hydrogen atom, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Acceptor, 0104 chemical sciences, chemistry, Intramolecular force, Atom, General Materials Science, Physics::Atomic Physics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::1199621bdf708bf8c272e05021effc90
https://doi.org/10.1039/d0ce00378f -
9
المؤلفون: Anna A. Hoser, Anders Ø. Madsen, Marcin Sztylko, Damian Trzybiński
المصدر: Chemical communications (Cambridge, England). 57(74)
مصطلحات موضوعية: Diffraction, Materials science, Glycine, Thermodynamics, Calorimetry, Low frequency, Catalysis, chemistry.chemical_compound, X-Ray Diffraction, Materials Chemistry, Adiabatic process, Density Functional Theory, Benzoic acid, Quantitative Biology::Biomolecules, Metals and Alloys, Acetophenones, General Chemistry, Benzoic Acid, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry, X-ray crystallography, Ceramics and Composites, Density functional theory
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::729578ea65da4d513ff2068f6c0baf6d
https://pubmed.ncbi.nlm.nih.gov/34528955 -
10
المؤلفون: Krzysztof Woźniak, Monika Wanat, Maura Malinska, Anna A. Hoser
المصدر: Molecules
Volume 26
Issue 12
Molecules, Vol 26, Iss 3730, p 3730 (2021)مصطلحات موضوعية: Diffraction, Electron density, Materials science, transferable aspherical atom model, Pharmaceutical Science, Organic chemistry, 010402 general chemistry, 010403 inorganic & nuclear chemistry, 01 natural sciences, Article, Analytical Chemistry, QD241-441, normal mode refinement, Drug Discovery, Atom, Neutron, Physical and Theoretical Chemistry, Anisotropy, Lattice energy, Charge density, multipole model, 0104 chemical sciences, Crystallography, Hirshfeld atom refinement, charge density, Chemistry (miscellaneous), Molecular Medicine, Multipole expansion
وصف الملف: application/pdf