Erratum: Calculation of nuclear magnetic shieldings. X. Relativistic effects [J. Chem. Phys. 105, 3175 (1996)]
Erratum: Calculation of nuclear magnetic shieldings. X. Relativistic effects [J. Chem. Phys. 105, 3175 (1996)]
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DOI：
10.1063/1.474125
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发表时间：
1997-02
影响因子：
4.4
通讯作者：
H. Fukui;T. Baba;H. Inomata
中科院分区：
文献类型：
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作者：
H. Fukui;T. Baba;H. Inomata
由于我们的计算机代码存在错误，表二中的数字不正确。给出了表 II 的修正版本，它表明传统使用的理论非常接近上午水系统中的矩阵方法成核速率。考虑氨水系统的结论分别发生了变化。在图 6 中，表示氨分子数和水分子数的轴应相互交错。我们感谢 Gerald Wilemski 和 Barbara Wyslouzil 告知我们他们的测试计算表明了错误结果。
Due to errors in our computer code, the numbers in Table II are incorrect. Corrected version of Table II is given and it shows that the conventionally used theory approximates the matrix method nucleation rates very well in the am water system. The conclusions considering the ammonia–water system are changed, respectively. In Fig. 6 the axes representing number of ammonia molecules and number of water molecules should be interc We thank Gerald Wilemski and Barbara Wyslouzil for informing us of their test calculations indicating an error results.