期刊
PHYSICAL REVIEW LETTERS
卷 107, 期 14, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.107.145501
关键词
-
资金
- EPSRC [EP/G008795/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/G008795/1] Funding Source: researchfish
The method of oxygen isotope substitution in neutron diffraction is introduced as a site specific structural probe. It is employed to measure the structure of light versus heavy water, thus circumventing the assumption of isomorphism between H and D as used in more traditional neutron diffraction methods. The intramolecular and intermolecular O-H and O-D pair correlations are in excellent agreement with path integral molecular dynamics simulations, both techniques showing a difference of similar or equal to 0.5% between the O-H and O-D intramolecular bond distances. The results support the validity of a competing quantum effects model for water in which its structural and dynamical properties are governed by an offset between intramolecular and intermolecular quantum contributions.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据