Dynamics of water molecules in a templated aluminophosphate: molecular dynamics simulation of inelastic neutron scattering spectra

被引：11

作者：

Ramirez-Cuesta, AJ

Mitchell, PCH ^{[1
]}

Wilkinson, AP

Parker, SF

Rodger, PM

机构：

[1] Univ Reading, Dept Chem, Reading RG6 6AD, Berks, England

[2] Univ Nacl San Luis, Dept Fis, RA-5700 San Luis, Argentina

[3] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[4] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England

来源：

CHEMICAL COMMUNICATIONS | 1998年 / 23期

关键词：

D O I：

10.1039/a807575a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In the templated aluminophosphate, DL-[Co(en)(3)]Al-3-(PO4)(4). 3H(2)O, the water molecules mediate the template-layer interaction: through a molecular dynamics simulation of the water molecule dynamics we have assigned the librational modes of water in the inelastic neutron scattering spectrum to motions of water molecules in three different environments.

引用

页码：2653 / 2654

页数：2

共 16 条

[1] An intermolecular (H2O)10 cluster in a solid-state supramolecular complex [J].