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Ab initio structure determination of 5-anilinomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione from laboratory powder data - a combined use of X-ray, molecular and solid-state DFT study
Title Ab initio structure determination of 5-anilinomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione from laboratory powder data - a combined use of X-ray, molecular and solid-state DFT study Author Smrčok Ľubomír 1954 SAVANOCH - Ústav anorganickej chémie SAV Co-authors Jorík Vladimír Scholtzová Eva 1965 SAVANOCH - Ústav anorganickej chémie SAV ORCID Milata Viktor Source document Acta Crystallographica Section B. Vol. 63 (2007), p. 477-484 Language eng - English Country GB - Great Britian Document kind rozpis článkov z periodík (rbx) Citations WHITFIELD, P.S. - LE PAGE, Y. - ABOUIRNRANE, A. - DAVIDSON, I.J. Ab initio structure determination of the low-temperature phase of succinonitrile from laboratory X-ray powder diffraction data-Coping with potential poor powder quality using DFT ab initio methods. In POWDER DIFFRACTION. ISSN 0885-7156, DEC 2008, vol. 23, no. 4, p. 292-299. Bail A.Le. Structure solution. In PRINCIPLES AND APPLICATIONS OF POWDER DIFFRACTION, Ed. Clearfield A., Reibenspies J.H., Bhuvanesh N., Wiley-Blackwell, Oxford 2008, chapter 7, p. 261-309 FLORENCE, A.J. - BARDIN, J. - JOHNSTON, B. - SHANKLAND, N. - GRIFFIN, T.A.N. - SHANKLAND, K. Structure determination from powder data: Mogul and CASTEP. In ZEITSCHRIFT FUR KRISTALLOGRAPHIE. ISSN 0044-2968, 2009, Part 1 Suppl. 30, p. 215-220. KALYAKINA, Alena S. - UTOCHNIKOVA, Valentina V. - BUSHMARINOV, Ivan S. - ANANYEV, Ivan V. - EREMENKO, Igor L. - VOLZ, Daniel - ROENICKE, Franziska - SCHEPERS, Ute - VAN DEUN, Rik - TRIGUB, Alexander L. - ZUBAVICHUS, Yan V. - KUZMINA, Natalia P. - BRAESE, Stefan. Highly Luminescent, Water-Soluble Lanthanide Fluorobenzoates: Syntheses, Structures and Photophysics, Part I: Lanthanide Pentafluorobenzoates. In CHEMISTRY-A EUROPEAN JOURNAL. ISSN 0947-6539, 2015, vol. 21, no. 49, pp. 17921-17932. KABOVA, Elena A. - COLE, Jason C. - KORB, Oliver - LOPEZ-IBANEZ, Manuel - WILLIAMS, Adrian C. - SHANKLAND, Kenneth. Improved performance of crystal structure solution from powder diffraction data through parameter tuning of a simulated annealing algorithm. In JOURNAL OF APPLIED CRYSTALLOGRAPHY. ISSN 1600-5767, 2017, vol. 50, no., pp. 1411-1420. Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2007 Registered in WOS Registered in SCOPUS Registered in CCC DOI 10.1107/S0108768107006568 
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rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2007 2006 2.172 Q1 1.009 Q1
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