SPROM - an efficient program for NMR/MRI simulations of inter- and intra-molecular multiple quantum coherences

被引：31

作者：

Cai, Congbo ^{[1
,2
]}

Lin, Meijin ^{[1
,2
]}

Chen, Zhong ^{[1
,2
,3
]}

Chen, Xi ^{[1
,2
]}

Cai, Shuhui ^{[1
,2
]}

Zhong, Jianhui ^{[3
]}

机构：

[1] Xiamen Univ, Dept Phys, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China

[2] Xiamen Univ, Dept Commun Engn, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China

[3] Univ Rochester, Dept Radiol, Rochester, NY 14642 USA

来源：

COMPTES RENDUS PHYSIQUE | 2008年 / 9卷 / 01期

基金：

中国国家自然科学基金;

关键词：

simulation software; product operator matrix; nuclear magnetic resonance; magnetic resonance imaging; inter- and intra-molecular multiple-quantum coherences;

D O I：

10.1016/j.crhy.2007.11.007

中图分类号：

P1 [天文学];

学科分类号：

0704 [天文学];

摘要：

A software package has been designed to simulate nuclear magnetic resonance spectra and images. Combining the product operator matrix with the non-linear Bloch equations, the software can efficiently simulate classical and quantum effects including scalar coupling, dipolar coupling, translational diffusion, chemical shift, radiation damping, transverse relaxation, and longitudinal relaxation. One of the most unique features of the software is its ability to incorporate effects of inter- and intra-molecular multiple quantum coherences in complex multiple-spin coupled systems, which are difficult with other existing software packages. The software, written in Visual C++, has a friendly graphical user interface and is easy to use.

引用

页码：119 / 126

页数：8

共 31 条

[1]

A method for simulation of NOESY, ROESY, and off-resonance ROESY spectra [J].