Zobrazeno 1 - 10
of 85
pro vyhledávání: '"Ab-initio structure solution"'
Autor:
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
Publikováno v:
IUCrJ, Vol 10, Iss 4, Pp 397-410 (2023)
Erionite is a non-asbestos fibrous zeolite classified by the International Agency for Research on Cancer (IARC) as a Group 1 carcinogen and is considered today similar to or even more carcinogenic than the six regulated asbestos minerals. Exposure to
Externí odkaz:
https://doaj.org/article/787c42b6a8e44c4980a736faa3f9785d
Akademický článek
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Autor:
Jordi Rius
Publikováno v:
IUCrJ, Vol 1, Iss 5, Pp 291-304 (2014)
The aim of this article is a general description of the so-called Patterson-function direct methods (PFDM), from their origin to their present state. It covers a 20-year period of methodological contributions to crystal structure solution, most of th
Externí odkaz:
https://doaj.org/article/657b848635284a20a51e790ca7085754
Akademický článek
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Autor:
Jürgen Senker, Kasper P. van der Zwan, Hans-Werner Schmidt, Klaus Kreger, Christoph Steinlein
Publikováno v:
Chemphyschem : a European journal of chemical physics and physical chemistry. 22(24)
Benzene bisamides are promising building blocks for supramolecular nano-objects. Their functionality depends on morphology and surface properties. However, a direct link between surface properties and molecular structure itself is missing for this ma
Akademický článek
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Autor:
Oriol Vallcorba, Enrico Mugnaioli, Fernando Colombo, Jordi Rius, Mauro Gemmi, Xavier Torrelles
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
European Journal of Mineralogy, Vol 32, Pp 545-555 (2020)
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
instname
European Journal of Mineralogy, Vol 32, Pp 545-555 (2020)
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
The crystal structure of the mineral decrespignyite-(Y) from the Paratoo copper mine (South Australia) has been obtained by applying δ recycling direct methods to 3D electron diffraction (ED) data followed by Rietveld refinements of synchrotron data
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e49d4ff9886b03765b4cb041cce4e19c
http://hdl.handle.net/11365/1151730
http://hdl.handle.net/11365/1151730
Autor:
Wang, Feng
A method for ab-initio structure factor retrieval from large-angle rocking-beam electron diffraction (LARBED)data of thin crystals is described and tested. This method determines crystal structure factors and specimen thickness from the intensities o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06d477d017679116666319d62a69dc1e
Publikováno v:
Journal of Applied Crystallography. 43:825-836
A recent probabilistic reformulation of the difference electron-density Fourier synthesis [Burla, Caliandro, Giacovazzo & Polidori (2010).Acta Cryst.A66, 347–361] suggested that the most suitable Fourier coefficients are the sum of the classical di
Publikováno v:
Journal of Solid State Chemistry
Journal of Solid State Chemistry, Elsevier, 2016, 235, pp.36-42. ⟨10.1016/j.jssc.2015.12.014⟩
Journal of Solid State Chemistry, Elsevier, 2016, 235, pp.36-42. ⟨10.1016/j.jssc.2015.12.014⟩
International audience; In this work we investigated the structural behaviour of a CaMn0.5Zr1.5(PO4)3. Due to the presence of divalent Mn2+ cations this compound can possess interesting luminescence properties. It was recently understood that this ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::140ef4e374c755d26876afdc8ca9b874
https://hal.archives-ouvertes.fr/hal-01253173/file/2016-009.pdf
https://hal.archives-ouvertes.fr/hal-01253173/file/2016-009.pdf