Programs

by Nikolai Shokhirev

Prof. F. Ann Walker Research Group, Department of Chemistry, University of Arizona, Tucson, Arizona 85721, USA

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Introduction

Introduction

 Program "Bloch"

The program solves the Bloch Equations for magnetization:

All parameters have the conventional meaning.

The solution of this equation is:

It satisfies the following initial condition (t=0) :

The pulses rotate the magnetization vector around the x, y and z axes according to the following rotation matrices:

Download here.

Program "TwoLines1D" and "TwoLineNMR"

The program simulates two-line 1D NMR spectrum with chemical exchange for the case k_AB = k_BA = k, T_2A = T_2B = 1/r, .

The case of non-reacting systems:

The case of fast reaction:

Download here. The program TwoLineNMR is more suitable for actual fitting. 

Program "TwoSiteExchange" 

The program solves the following system of equations:

Download here.

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