المؤلفون: Sajesh P. Thomas, Amol G. Dikundwar, Sounak Sarkar, Mysore S. Pavan, Rumpa Pal, Venkatesha R. Hathwar, Tayur N. Guru Row

المصدر: Molecules, Vol 27, Iss 12, p 3690 (2022)

مصطلحات موضوعية: non-covalent interactions, electron density, qtaim, multipole modelling, crystal, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/27/12/3690; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/aef31eb2c25e4ea2bb6106c8e5f4843c

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

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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

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تسجيل الدخول للوصول الكامل.

لا يتم عرض هذه النتيجة على الضيوف.
تسجيل الدخول للوصول الكامل.