Open AccessSIGN DISTRIBUTION OF TWO-PHASE STRUCTURE INVARIANTS FOR THE CRYSTAL cis-[PtDMBA(ClCH2CO2)2]
Author(s) -
Guo Dongyao,
Guo Shi-Shan
Publication year - 1990
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.39.158-2
Subject(s) - sign (mathematics) , crystal (programming language) , distribution (mathematics) , phase (matter) , crystal structure , probabilistic logic , physics , crystallography , mathematics , computer science , quantum mechanics , mathematical analysis , statistics , chemistry , programming language
The two-phase structure invariants for the crystal, ψ2=ψH+ψH, are calculated, and the statistical distribution of negative Ψ2 with |E| is obtained. The results for this crystal show that Hauptman's probabilistic formula (1) may reliably determine the signs of Ψ2 as long as their |E| values are not too small in practical use. The computational results for other 5 crystals, C18H24NO4 and its derivatives, also support the above conclusion