Zobrazeno 1 - 10
of 117
pro vyhledávání: '"CHRISTOPHER J. GILMORE"'
Publikováno v:
J. Appl. Crystallogr.
Over the past few years, the powder charge-flipping algorithm has proved to be a useful one for structure solution from powder diffraction data, so a semi-systematic study of the effect of the different input parameters on its success has been perfor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::997132a97ef842ec33a76129a1be21d4
Autor:
Christopher J. Gilmore
Publikováno v:
Solid State Characterization of Pharmaceuticals
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7eed95bb65c1cae796b589117a43b84f
https://doi.org/10.1002/9780470656792.ch2
https://doi.org/10.1002/9780470656792.ch2
Publikováno v:
Zeitschrift für Kristallographie. 226:447-453
The crystal structure of NaY was re-determined in space group Fd-3m from 87 unique electron diffraction amplitudes obtained at 1250 kV by A. Carlsson, et al. (Chem. Eur. J. 5 (1999) 244), where a = 24.7 Å. The determination, based on maximum entropy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b2d7724985651cf36e6cc2320634cab
https://doi.org/10.1524/zkri.2011.1366
https://doi.org/10.1524/zkri.2011.1366
Publikováno v:
CrystEngComm. 12:801-809
A method previously described for comparing whole crystal structures based on the correlation of fingerprint plots derived from Hirshfeld surfaces coupled with cluster analysis (A. Parkin, G. Barr, W. Dong, C. J. Gilmore, D. Jayatilaka, J. J. McKinno
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cfc08811ed008e48195d33597164ebd
https://doi.org/10.1039/b914683k
https://doi.org/10.1039/b914683k
Publikováno v:
CrystEngComm. 12:810-816
Intermolecular interactions between 2-amino-4-methylpyrimidine and 2-methylbenzoic acid in the crystalline solid state, used in a recent blind test of crystal structure prediction, are classified using cluster analysis and multivariate statistics. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8571898fd79e88668837eba341963d91
https://doi.org/10.1039/b914850g
https://doi.org/10.1039/b914850g
Publikováno v:
Journal of Applied Crystallography. 42:965-974
PolySNAP3is a computer program for the classification of powder diffraction, spectroscopic and numerical data either separately or combined. A correlation matrix is generated by matching full data profiles; for numerical data the standard Euclidean d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::515762c3f996ae24429d2755f817ac82
https://doi.org/10.1107/s0021889809025746
https://doi.org/10.1107/s0021889809025746
Publikováno v:
Journal of Applied Crystallography. 42:706-714
In high-throughput crystallography it is possible to accumulate large numbers of powder diffraction patterns on a series of related compounds, often polymorphs, salts or co-crystals. In previous papers [Gilmore, Barr & Paisley (2004).J. Appl. Cryst.3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2da59ab5efdd37155e4cd0878c335888
https://doi.org/10.1107/s0021889809022924
https://doi.org/10.1107/s0021889809022924
Autor:
Karl G. Strohmaier, Christopher J. Gilmore, Chris E. Kliewer, Douglas L. Dorset, Fernando Rey, Avelino Corma, María J. Díaz-Cabañas
Publikováno v:
Chemistry of Materials. 20:5325-5331
ITQ-26 was synthesized via the fluoride procedure using 1,3-bis-(triethylphosphoniummethyl)-benzene as the structure-directing agent. The unit cell and space group were initially determined from electron diffraction experiments on individual tilted m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5748a3ff92eabc6cd7bfe8bf20ca031c
https://doi.org/10.1021/cm801126t
https://doi.org/10.1021/cm801126t
Publikováno v:
Acta Crystallographica Section A Foundations of Crystallography. 64:284-294
The maximum-entropy and likelihood method for solving zeolite crystal structures from electron diffraction data is modified to use potential-map-density histograms as an additional figure of merit. The experimental histogram is compared to an idealiz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::91ebb75acfae14a4fbe3a4e287c7d336
https://doi.org/10.1107/s010876730705862x
https://doi.org/10.1107/s010876730705862x
Publikováno v:
Acta Crystallographica Section B Structural Science. 64:57-65
Automated cluster analysis is used to examine the conformation and configuration of pyranose sugars. Previous findings on this issue are confirmed, importantly from an analysis that requires no prior knowledge of the significant factors determining t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fc56f0525ea0c6cf09493165b38da9e
https://doi.org/10.1107/s0108768107067341
https://doi.org/10.1107/s0108768107067341