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本文计算了cis-[PtDMBA(ClCH2CO2)2]晶体的双相角结构不变量ψ2=ψH+ψH,统计了其值为负时ψ2随|E|的分布情况。对该晶体的计算结果表明,对于具有实际意义的较大|E|值的ψ2,都能用Hauptman概率式给出可靠的符号估计。五个柯卡因及其衍生物晶体的结果也支持这一结论。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
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