المؤلفون: Florian Meurer, Oleg V. Dolomanov, Christoph Hennig, Norbert Peyerimhoff, Florian Kleemiss, Horst Puschmann, Michael Bodensteiner

المصدر: IUCrJ, Vol 9, Iss 5, Pp 604-609 (2022)

مصطلحات موضوعية: anomalous dispersion, resonant scattering, diffraction spectroscopy, correction of the crystallographic model, synchrotron, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252522006844; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/4994cd9ddb8a49759340af94415306dd

المؤلفون: Malte Fugel, Dylan Jayatilaka, Emanuel Hupf, Jacob Overgaard, Venkatesha R. Hathwar, Piero Macchi, Michael J. Turner, Judith A. K. Howard, Oleg V. Dolomanov, Horst Puschmann, Bo B. Iversen, Hans-Beat Bürgi, Simon Grabowsky

المصدر: IUCrJ, Vol 5, Iss 1, Pp 32-44 (2018)

مصطلحات موضوعية: Hirshfeld atom refinement, multipole modelling, anisotropic displacement parameters, hydrogen-atom properties, crystallographic software, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252517015548; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/77e1641b77cf4f088563d6d91dce4902

المؤلفون: Laura Midgley, Lorraine A. Malaspina, Dieter Lentz, Fraser White, Alessandro Genoni, Horst Puschmann, Norbert Peyerimhoff, Michael Bodensteiner, Florian Kleemiss, Simon Steinhauer, John L. Spencer, Dylan Jayatilaka, Luc J. Bourhis, Simon Grabowsky, Oleg V. Dolomanov, Bernhard Grundkötter-Stock

المساهمون: Universität Bern [Bern], Duke University [Durham], Universität Regensburg (UR), Department of Mathematical Sciences (Durham University), Durham University, Bruker France, Laboratoire de Physique et Chimie Théoriques (LPCT), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), The University of Western Australia (UWA), Victoria University of Wellington, Institut für Chemie und Biochemie, Anorganische Chemie, Freie Universität Berlin

المصدر: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon (2021). Accurate crystal structures and chemical properties from NoSpherA2. Chemical Science, 12(5), pp. 1675-1692. The Royal Society of Chemistry 10.1039/d0sc05526c <http://dx.doi.org/10.1039/d0sc05526c>
Chemical Science
Chemical Science, The Royal Society of Chemistry, 2021, ⟨10.1039/D0SC05526C⟩
Chemical science, 2021, Vol.12, pp.1675-1692 [Peer Reviewed Journal]

مصطلحات موضوعية: Diffraction, chemical structure models, crystallographic software, Structure (category theory), accurate crystal structures, Crystal structure, 010402 general chemistry, 01 natural sciences, Interpretation (model theory), Computational science, Software, 540 Chemistry, [CHIM.CRIS]Chemical Sciences/Cristallography, Desktop computing, Model refinement, 010405 organic chemistry, Chemistry, business.industry, General Chemistry, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Key (cryptography), 570 Life sciences, biology, 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften, business

وصف الملف: application/pdf; application/octet-stream

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f130956a6f2ae56e8c0ea2c536154ae3
https://boris.unibe.ch/150764/1/079_Kleemiss2020_ChemSci.pdf

المؤلفون: Simon Grabowsky, Florian Kleemiss, Oleg V. Dolomanov, Luc J. Bourhis, Norbert Peyerimhoff, Laura Midgley, Horst Puschmann

المصدر: Acta Crystallographica Section A Foundations and Advances, 2021, Vol.77(6), pp.519-533 [Peer Reviewed Journal]

مصطلحات موضوعية: Physics, Atomic form factor, Zero (complex analysis), Structure (category theory), Atom (order theory), Term (logic), Condensed Matter Physics, Biochemistry, Inorganic Chemistry, Structural Biology, 540 Chemistry, Numerical differentiation, Key (cryptography), 570 Life sciences, biology, General Materials Science, Statistical physics, Physical and Theoretical Chemistry, Multipole expansion

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11ba21c28f4dc2aa83342fdeee40aa96

المؤلفون: Florian Kleemiss, Simon Grabowsky, Oleg V. Dolomanov, Horst Puschmann, Michael Bodensteiner

المصدر: Acta Crystallographica Section A Foundations and Advances. 77:C906-C906

مصطلحات موضوعية: Inorganic Chemistry, Structural Biology, General Materials Science, Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::fcf0cb9ea5509cabd53e5857f0da3095
https://doi.org/10.1107/s0108767321087936

المؤلفون: Oleg V. Dolomanov, Horst Puschmann

المصدر: Acta Crystallographica Section A Foundations and Advances. 75:e766-e766

مصطلحات موضوعية: Inorganic Chemistry, Engineering, Software, Structural Biology, business.industry, General Materials Science, Physical and Theoretical Chemistry, Condensed Matter Physics, Software engineering, business, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b69640e17a199e56ed29c1cab161f66d
https://doi.org/10.1107/s2053273319087904

المؤلفون: Hans Beat Bürgi, Simon Grabowsky, Oleg V. Dolomanov, Michael J. Turner, Jacob Overgaard, Horst Puschmann, Venkatesha R. Hathwar, Dylan Jayatilaka, Malte Fugel, Judith A. K. Howard, Piero Macchi, Bo B. Iversen, Emanuel Hupf

المساهمون: University of Zurich, Grabowsky, Simon

المصدر: Fugel, M, Jayatilaka, D, Hupf, E, Overgaard, J, Hathwar, V R, Macchi, P, Turner, M J, Howard, J A K, Dolomanov, O V, Puschmann, H, Iversen, B B, Bürgi, H B & Grabowsky, S 2018, ' Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2 ', IUCrJ, vol. 5, no. 1, pp. 32-44 . https://doi.org/10.1107/S2052252517015548
IUCrJ, 2018, Vol.5(1), pp.32-44 [Peer Reviewed Journal]
IUCrJ, Vol 5, Iss 1, Pp 32-44 (2018)
Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R.; Macchi, Piero; Turner, Michael J.; Howard, Judith A. K.; Dolomanov, Oleg V.; Puschmann, Horst; Iversen, Bo B.; Bürgi, Hans-Beat; Grabowsky, Simon (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), pp. 32-44. International Union of Crystallography 10.1107/S2052252517015548 <http://dx.doi.org/10.1107/S2052252517015548>

مصطلحات موضوعية: Diffraction, 10120 Department of Chemistry, Electron density, crystallographic software, 1303 Biochemistry, 3104 Condensed Matter Physics, Neutron diffraction, Analytical chemistry, 1600 General Chemistry, 010402 general chemistry, 010403 inorganic & nuclear chemistry, 01 natural sciences, Biochemistry, Molecular physics, Atom, 540 Chemistry, General Materials Science, Neutron, lcsh:Science, Basis set, Scattering, Chemistry, General Chemistry, hydrogen-atom properties, Condensed Matter Physics, 2500 General Materials Science, 0104 chemical sciences, Bond length, Hirshfeld atom refinement, anisotropic displacement parameters, 570 Life sciences, biology, lcsh:Q, multipole modelling

وصف الملف: lc5093.pdf - application/pdf; application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b193e1685071d40c171062a1b3a883e1
https://doi.org/10.5167/uzh-161647

المؤلفون: Malte, Fugel, Dylan, Jayatilaka, Emanuel, Hupf, Jacob, Overgaard, Venkatesha R, Hathwar, Piero, Macchi, Michael J, Turner, Judith A K, Howard, Oleg V, Dolomanov, Horst, Puschmann, Bo B, Iversen, Hans-Beat, Bürgi, Simon, Grabowsky

المصدر: IUCrJ

مصطلحات موضوعية: Hirshfeld atom refinement, crystallographic software, Astrophysics::High Energy Astrophysical Phenomena, anisotropic displacement parameters, multipole modelling, hydrogen-atom properties, Research Papers

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::c728ae2ef787a56cd034fa46b88412b3
https://pubmed.ncbi.nlm.nih.gov/29354269

المؤلفون: Horst Puschmann, Oleg V. Dolomanov

المصدر: Acta Crystallographica Section A Foundations and Advances. 74:e40-e40

مصطلحات موضوعية: Inorganic Chemistry, Crystallography, Materials science, Structural Biology, X ray data, Atom (order theory), General Materials Science, Hydrogen atom, Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::79d9b75264bb69fe5e8dd647555ab21b
https://doi.org/10.1107/s2053273318094603

المؤلفون: Helen Stoeckli-Evans, Olha Sereda, Iryna Typilo, Dariya Semenyshyn, Oleg V. Dolomanov

المصدر: Solid State Sciences. 14:1321-1326

مصطلحات موضوعية: Chemistry, Hydrogen bond, chemistry.chemical_element, General Chemistry, Crystal structure, Triclinic crystal system, Condensed Matter Physics, law.invention, Metal, Crystallography, Molybdenum, law, visual_art, visual_art.visual_art_medium, Molecule, General Materials Science, Isostructural, Crystallization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b17a57fe0326e080707d3f34048c0690
https://doi.org/10.1016/j.solidstatesciences.2012.07.003