Contents

Introduction

Capabilities

Simulations

Line Shape Fitting

Variable Temperature DNMR Experiments

Simulation Tutorial

The Simulation File (SIM Group File)

The Simulation Editor

Simulation Math Sources

Chemical Shift Thermometer

Selecting a Simulation Pattern

AB, AB2, ABX

ABX3, AA'XX'

DNMR - Coupled AB Exchange

DNMR - AA'BC Exchange of Chelation Isomers

DNMR - Te Ate exchange

DNMR - Exchange of 1:2:3:2:1 quintet

DNMR - Exchange of 1:2:3:4:3:2:1 Septet

DNMR - X of ABX/AMX to A2X

DNMR - Exchange of Two Triplets and Singlet

DNMR - CH2 Rotation

DNMR - Exchange of Two Coupled Multiplets (dddd)

DNMR - Random Exchange of Triplet

Printing Spectra

Exporting Spectra

PLT Drawing Program

Options

Save-Restore Simulation

Icons and Buttons

Calculations

Press the right mouse button over controls for help on using the button