The isotope substitution effect on the hydrated proton

被引：36

作者：

Schmitt, UW ^{[1
]}

Voth, GA ^{[1
]}

机构：

[1] Univ Utah, Henry Eyring Ctr Theoret Chem, Dept Chem, Salt Lake City, UT 84112 USA

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 329卷 / 1-2期

基金：

美国国家科学基金会; 美国国家卫生研究院;

关键词：

D O I：

10.1016/S0009-2614(00)00995-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The influence of deuteration on the hydrated excess proton in liquid water is examined through quantum-dynamical computer simulation. Equilibrium and dynamical properties are calculated and compared to the H+/H2O scenario. The effect of Isotopic substitution on the vibrational density of states is also studied. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：36 / 41

页数：6

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