المؤلفون: Rius, Jordi

المساهمون: Agencia Estatal de Investigación (España), CSIC - Unidad de Recursos de Información Científica para la Investigación (URICI), Rius, Jordi, Consejo Superior de Investigaciones Científicas https://ror.org/02gfc7t72

مصطلحات موضوعية: SMAR phasing algorithm, SMAR residuals, Crystal structure solution, ipp density modification, Origin-free modulus sum function, δ direct methods, δ recycling algorithm, δ-GEQ, δM tangent formula

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-124734OB-C22/ES/FERROICOS MAGNETICOS MULTIFUNCIONALES PARA UNA SOCIEDAD DE LA INFORMACION SOSTENIBLE/; info:eu-repo/grantAgreement/AEI/Plan Estatal de investigación Científica y Técnica y de Innovación 2021-2023/CEX2023-001263-S; Acta crystallographica. Section A, Foundations and advances; http://doi.org/10.1107/S2053273324009628; Sí; http://hdl.handle.net/10261/372373; http://dx.doi.org/10.13039/501100011033

الاتاحة: http://hdl.handle.net/10261/372373
https://doi.org/10.1107/S2053273324009628
https://doi.org/10.13039/501100011033

المؤلفون: Carlotta Giacobbe, Anna Moliterni, Dario Di Giuseppe, Daniele Malferrari, Jonathan P. Wright, Michele Mattioli, Simona Raneri, Cinzia Giannini, Laura Fornasini, Enrico Mugnaioli, Paolo Ballirano, Alessandro F. Gualtieri

المصدر: IUCrJ, Vol 10, Iss 4, Pp 397-410 (2023)

مصطلحات موضوعية: erionite, nano-diffraction, asbestos, ab initio structure solution, mesothelioma, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252523003500; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/787c42b6a8e44c4980a736faa3f9785d

المؤلفون: Peter R. Spackman

المصدر: IUCrJ, Vol 11, Iss 3, Pp 275-276 (2024)

مصطلحات موضوعية: disorder, crystal structures, quantum crystallography, structure solution, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252524001684; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/4d399c97baac4085a0def663ae9e21a8

المؤلفون: Margarita S. Avdontceva, Andrey A. Zolotarev, Anastasia S. Brazhnikova, Vladimir N. Bocharov, Natalia S. Vlasenko, Mikhail A. Rassomakhin, Sergey V. Krivovichev

المصدر: Minerals ; Volume 14 ; Issue 10 ; Pages: 1048

مصطلحات موضوعية: ‘rhythmite’, mineral-like phase, crystal structure solution, Raman spectroscopy, thermal stability, thermal behaviour

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Crystallography and Physical Chemistry of Minerals & Nanominerals; https://dx.doi.org/10.3390/min14101048

الاتاحة: https://doi.org/10.3390/min14101048

المؤلفون: Von Dreele, Robert, Elcoro Cengotitabengoa, Luis Angel

مصطلحات موضوعية: magnetic subgroup analysis, magnetic structure solution, software

وصف الملف: application/pdf

Relation: https://journals.iucr.org/b/issues/2024/05/00/cam5001/index.html; http://hdl.handle.net/10810/69781

الاتاحة: http://hdl.handle.net/10810/69781
https://doi.org/10.1107/S2052520624008436

المؤلفون: Gao, Zihao Rei, Balestra, Salvador R. G., Li, Jian, Camblor, Miguel A.

المصدر: Angewandte Chemie International Edition. 60(37):20249-20252

مصطلحات موضوعية: degermanation, interrupted framework, structure solution, three-dimensional electron diffraction, zeolites

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-196873
https://doi.org/10.1002/anie.202106734

المؤلفون: D'Abbrunzo I., Bianco E., Gigli L., Demitri N., Birolo R., Chierotti M. R., Skoric I., Keiser J., Haberli C., Voinovich D., Hasa D., Perissutti B.

المساهمون: D'Abbrunzo, I., Bianco, E., Gigli, L., Demitri, N., Birolo, R., Chierotti, M. R., Skoric, I., Keiser, J., Haberli, C., Voinovich, D., Hasa, D., Perissutti, B.

مصطلحات موضوعية: Cocrystal structure solution, Dual-drug cocrystal, In vitro anthelmintic activity, In vivo preliminary test, Minicapsules size M, Praziquantel-Niclosamide cocrystal

Relation: info:eu-repo/semantics/altIdentifier/pmid/37579827; volume:644/2023; firstpage:"-"; lastpage:"-"; numberofpages:12; journal:INTERNATIONAL JOURNAL OF PHARMACEUTICS. X; https://hdl.handle.net/11368/3058779; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85170581815; https://www.sciencedirect.com/science/article/pii/S0378517323007354

الاتاحة: https://hdl.handle.net/11368/3058779
https://doi.org/10.1016/j.ijpharm.2023.123315
https://www.sciencedirect.com/science/article/pii/S0378517323007354

المؤلفون: Bravetti, Federica, Russo, Raffaele E, Bordignon, Simone, Gallo, Angelo, Rossi, Federica, Nervi, Carlo, Gobetto, Roberto, Chierotti, Michele R

المساهمون: Bravetti, Federica, Russo, Raffaele E, Bordignon, Simone, Gallo, Angelo, Rossi, Federica, Nervi, Carlo, Gobetto, Roberto, Chierotti, Michele R

مصطلحات موضوعية: N-H distance, NMR crystallography, crystal structure prediction, dinicotinic acid, dipicolinic acid, quinolinic acid, solid-state NMR, structure solution, zwitterionic systems

Relation: info:eu-repo/semantics/altIdentifier/pmid/36838863; volume:28; issue:4; firstpage:1876; lastpage:1899; numberofpages:24; journal:MOLECULES; https://hdl.handle.net/2318/1894333

الاتاحة: https://hdl.handle.net/2318/1894333
https://doi.org/10.3390/molecules28041876

المؤلفون: Angela Altomare

المصدر: IUCrJ, Vol 9, Iss 4, Pp 403-405 (2022)

مصطلحات موضوعية: structure solution, powder diffraction, ambiguous structure determination, low crystallinity, pair distribution function, solid-state nuclear magnetic resonance, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S2052252522006571; https://doaj.org/toc/2052-2525

URL الوصول: https://doaj.org/article/a0e5f446cd4f42218a8413443701388c

المساهمون: Von Dreele, Robert [Argonne National Lab. (ANL), Lemont, IL (United States)]

المصدر: Crystals; 7; 9

وصف الملف: Medium: ED; Size: Article No. 264

URL الوصول: http://www.osti.gov/scitech/servlets/purl/1377892

المساهمون: Coelho, Alan [72 Cedar Street, Brisbane (Australia)]

المصدر: Journal of Applied Crystallography (Online); 49; 5

وصف الملف: Medium: ED; Size: p. 1806-1809

URL الوصول: http://www.osti.gov/scitech/servlets/purl/1327598

المساهمون: Schmidt, Martin [Goethe Univ., Frankfurt am Main (Germany)]

المصدر: Acta Crystallographica. Section A, Foundations and Advances (Online); 72; 1

وصف الملف: Medium: ED; Size: p. 62-72

URL الوصول: http://www.osti.gov/scitech/servlets/purl/1240708

المؤلفون: Pohua Chen, Yang Liu, Chaochao Zhang, Fei Huang, Leifeng Liu, Junliang Sun

المصدر: Frontiers in Molecular Biosciences, Vol 8 (2022)

مصطلحات موضوعية: crystalline sponge, electron diffraction, host-guest interaction, porous materials, structure solution, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2021.821927/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/1f7b847f50b84d7fa142c71dff172737

المؤلفون: Mugnaioli, E, Xiong, FH, Xu, XZ, Gemmi, M, Wirth, R, Yang, JS, Grew, ES

المساهمون: Mugnaioli, E, Xiong, Fh, Xu, Xz, Gemmi, M, Wirth, R, Yang, J, Grew, Es

مصطلحات موضوعية: wodegongjieite, kokchetavite, dmisteinbergite, feldspar family, 3-dimensional electron diffraction (3DED), ab initio structure solution, Luobusa ophiolite, Tibet, China

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000878710400001; volume:86; issue:6; firstpage:975; lastpage:987; numberofpages:13; journal:MINERALOGICAL MAGAZINE; https://hdl.handle.net/11568/1161073; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85138177736; https://www.cambridge.org/core/journals/mineralogical-magazine/article/wodegongjieite-ideally-kca3al7si9o32-a-new-sheet-silicate-isostructural-with-the-feldspar-polymorph-kokchetavite-kalsi3o8/936F0B3D50904A8648D9FA48160A8713

الاتاحة: https://hdl.handle.net/11568/1161073
https://doi.org/10.1180/mgm.2022.107
https://www.cambridge.org/core/journals/mineralogical-magazine/article/wodegongjieite-ideally-kca3al7si9o32-a-new-sheet-silicate-isostructural-with-the-feldspar-polymorph-kokchetavite-kalsi3o8/936F0B3D50904A8648D9FA48160A8713

المؤلفون: Joseph Hitchen (11939222), Iryna Andrusenko (2133142), Charlie L. Hall (11409378), Enrico Mugnaioli (1535545), Jason Potticary (4397569), Mauro Gemmi (1622662), Simon R. Hall (845055)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Ecology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, uv – vis, submicron crystalline domains, structural scaffold paves, entirely new class, dimensional electron diffraction, 3d electron diffraction, produced containing orthocetamol, use orthocetamol backbone, orthocetamol backbone solved, create charge transfer, >- 1 symmetry, charge transfer, backbone allowing, electron donors, electron acceptors, orthocetamol forms, structure solution, stack configuration, pc <, p <, low degree, acceptor molecules, 1 stoichiometry

Relation: https://figshare.com/articles/journal_contribution/Organic_Cocrystals_of_TCNQ_and_TCNB_Based_on_an_Orthocetamol_Backbone_Solved_by_Three-Dimensional_Electron_Diffraction/18310130

الاتاحة: https://doi.org/10.1021/acs.cgd.1c01095.s001

المؤلفون: Holger Klein, Stéphanie Kodjikian, Emre Yörük, Pierre Bordet

المصدر: Symmetry; Volume 14; Issue 2; Pages: 245

مصطلحات موضوعية: electron crystallography, beam sensitive materials, structure solution, structure refinement, 3D electron diffraction

وصف الملف: application/pdf

Relation: Physics and Symmetry/Asymmetry; https://dx.doi.org/10.3390/sym14020245

الاتاحة: https://doi.org/10.3390/sym14020245

المؤلفون: Rius, Jordi, Torrelles, Xavier

المساهمون: Ministerio de Ciencia, Innovación y Universidades (España), European Commission, Rius, Jordi, Torrelles, Xavier

مصطلحات موضوعية: SAD-SMAR, SM,|ρ| phasing algorithm, SMAR phasing, ipp density modification, Structure solution, ρ|-based direct methods

Relation: #PLACEHOLDER_PARENT_METADATA_VALUE#; info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-098537-B-C21/ES/INVESTIGACION DE OXIDOS COMPLEJOS PARA APLICACIONES FERROELECTRICAS Y MAGNETICAS/; info:eu-repo/grantAgreement/MICIU/Plan Estatal de investigación Científica y Técnica y de Innovación 2017-2020/CEX2019-000917-S; Acta crystallographica. Section A, Foundations and advances; Publisher's version; http://dx.doi.org/10.1107/S2053273322008622; Sí; Acta Crystallographica - Section A - Foundat of Crystal 78: 473-481 (2022); http://hdl.handle.net/10261/284709; http://dx.doi.org/10.13039/501100000780; 2-s2.0-85141888391; https://api.elsevier.com/content/abstract/scopus_id/85141888391

الاتاحة: http://hdl.handle.net/10261/284709
https://doi.org/10.1107/S2053273322008622
https://doi.org/10.13039/501100000780
https://api.elsevier.com/content/abstract/scopus_id/85141888391

المساهمون: Khalifah, Peter [Stony Brook Univ., NY (United States). Dept. of Chemistry; Brookhaven National Lab. (BNL), Upton, NY (United States). Dept. of Chemistry]

المصدر: Journal of the American Chemical Society; 137; 3

وصف الملف: Medium: ED; Size: p. 1245-1257

URL الوصول: http://www.osti.gov/scitech/servlets/purl/1261409

المؤلفون: Sepali, Chiara, Gomez Maya, Sara, Grifoni, Emanuele, Giovannini, Tommaso, Cappelli, Chiara

المساهمون: Sepali, Chiara, Gomez Maya, Sara, Grifoni, Emanuele, Giovannini, Tommaso, Cappelli, Chiara

مصطلحات موضوعية: Circular dichroism spectroscopy, Computer simulation, Molecular structure,Solution chemistry, Solvents, Settore CHIM/02 - Chimica Fisica

Relation: info:eu-repo/semantics/altIdentifier/pmid/38733374; volume:128 (2024); firstpage:5083; lastpage:5091; numberofpages:9; journal:JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL; https://hdl.handle.net/11384/142203; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85192830479

الاتاحة: https://hdl.handle.net/11384/142203
https://doi.org/10.1021/acs.jpcb.4c01443

المؤلفون: Echols, Nathaniel, Moriarty, Nigel W, Klei, Herbert E, Afonine, Pavel V, Bunkóczi, Gábor, Headd, Jeffrey J, McCoy, Airlie J, Oeffner, Robert D, Read, Randy J, Terwilliger, Thomas C, Adams, Paul D

المصدر: Acta crystallographica. Section D, Biological crystallography. 70(Pt 1)

مصطلحات موضوعية: Animals, Humans, HIV-1, HIV Protease, Factor Xa, Thrombin, Proteins, Ligands, Crystallography, X-Ray, Protein Binding, Drug Design, Models, Molecular, automation, crystallographic structure solution and refinement, protein–ligand complexes, Generic health relevance, Physical Sciences, Chemical Sciences, Biological Sciences, Biophysics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/6m23s65b