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ADF-GUI Tutorial

Table of Contents
Introduction
ADF-GUI modules
Starting the ADF-GUI modules
ADF-GUI overview tutorials
Tutorial 1: Geometry optimization of ethanol
Tutorial 2: Excitation energies of ethene
Tutorial 3: Vibrational frequencies of ethane
Advanced ADF-GUI tutorials
Tutorial 4: Structure Building
Tutorial 5: HCN Isomerization Reaction
Tutorial 6: TlH (thallium hydride) Spin-Orbit Coupling
Tutorial 7: Multi-Level principles: Regions, Quild and QMMM
Tutorial 8: ADF Fragment Analysis
Tutorial 9: Basis Set Effects for NH3 (ammonia) Geometry
Tutorial 10: DFTB charges, Bader analysis, NBOs, and Occupations
Tutorial 11: Spin Coupling in Fe4S4 Cluster