Interactions of H2O molecules in ice I. The dipole moment of an H2O molecule in ice
Interactions of H2O molecules in ice I. The dipole moment of an H2O molecule in ice
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冰中 H2O 分子的相互作用 I. 冰中 H2O 分子的偶极矩
DOI：
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发表时间：
1966
期刊：
影响因子：
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通讯作者：
D. Eisenberg
中科院分区：
文献类型：
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作者：
C. Coulson;D. Eisenberg
冰中H2O分子的偶极矩大于孤立H2O分子的偶极矩，即1·84 D，这是由于相邻分子的电场。通过将每个分子表示为一系列电多极，计算了最近的85个邻居产生的场的大小和方向。结果表明，电场的方向与中心分子的偶极矩方向一致，且电场强度足以使中心分子的总偶极矩增加到2·60D左右。
The dipole moment of an H2O molecule in ice is greater than the moment of an isolated H2O molecule, 1·84 D, owing to the electric fields of neighbouring molecules. The magnitude and direction of the field arising from the nearest 85 neighbours is computed here by representing each molecule as a series of electric multipoles. It is found that the field has the direction of the dipole moment of the central molecule and is sufficiently strong to increase its total dipole moment to about 2·60 D.