MEAN AMPLITUDES OF VIBRATION FOR PMO12O403- AND ITS FRAGMENTS

被引：3

作者：

CYVIN, SJ ^{[1
]}

LYHAMN, L ^{[1
]}

CYVIN, BN ^{[1
]}

机构：

[1] UNIV UMEA,DEPT INORGAN CHEM,S-90187 UMEA,SWEDEN

来源：

MONATSHEFTE FUR CHEMIE | 1979年 / 110卷 / 02期

关键词：

Force field calculation of mean amplitudes of vibration; PMo[!sub]12[!/sub]O[!sub]40[!/sub][!sup]3-[!/sup; Vibration; mean amplitudes of;

D O I：

10.1007/BF00911919

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Mean amplitudes of vibration (ℓ) are calculated for all 80 distance types in PMo12O403-. The values are discussed and some of them compared with the corresponding values calculated for, five different fragments of the structure. Reasonable ℓ values (<0.12 Å at 298 K) are found even for extremely long distances, e.g. 0.078 Å at 298 K for the longest oxygen-oxygen distance (10.4 Å). The ℓ values for bonded distances as well as a number of nonbonded distances have comparable magnitudes in the fragments and the whole structure; in other cases the fragment values are substantially higher. © 1979 Springer-Verlag.

引用

页码：311 / 320

页数：10

共 11 条

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[9]

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