A Program for Calculating Theoretical X-Ray patterns: Use in Identifying β-Mo4 O11 and V2 MoO8 | Sciact - CRIS-system of Boreskov Institute of Catalysis

A Program for Calculating Theoretical X-Ray patterns: Use in Identifying β-Mo4 O11 and V2 MoO8 Full article

Journal

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Output data

Year: 1984, Volume: 25, Number: 5, Pages: 833-836 Pages count : 4 DOI: 10.1007/BF00747936

Authors

Solovʹeva L.P. ¹ , Tsybulya S.V. ¹ , Olenʹkova I.P. ¹ , Plyasova L.M. ¹

Affiliations

1	Catalysis Institute, Siberian Branch, Academy of Sciences of the USSR

If x-ray reference data have to be revised or are lacking, one requires theoretical calculations on powder patterns by reference to structure parameters. There are various programs for this purpose: in the foreign literature, for example, there is the program by Johnson et al. [1], while in the Soviet literature such a program appears within a program for profile analysis [2]. We have written a program for the ES computers that forms part of a suite for powder methods, and this is based on experience with the STRUKTURA system for single-crystal methods [3]. The latter provided the general organization: data input and storage and programs and subroutines common to the two methods.

Solovʹeva L.P. , Tsybulya S.V. , Olenʹkova I.P. , Plyasova L.M.
A Program for Calculating Theoretical X-Ray patterns: Use in Identifying β-Mo4 O11 and V2 MoO8
Journal of Structural Chemistry. 1984. V.25. N5. P.833-836. DOI: 10.1007/BF00747936 WOS Scopus РИНЦ OpenAlex

Соловьева Л.П. , Цыбуля С.В. , Оленькова И.П. , Плясова Л.М.
Программа расчета теоретических рентгенограмм и ее использование для идентификации соединений β-Мо4О11 и V2МоО8
Журнал структурной химии. 1984. Т.25. №5. С.177-180. РИНЦ ANCAN

Submitted:	Jul 18, 1983
Published print:	Sep 1, 1984

Web of science:	WOS:A1984ALB8900032
Scopus:	2-s2.0-34250109716
Elibrary:	30897619
OpenAlex:	W2039769807

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