4 Tutorials and Examples

• Prologue and generation of input files
• 4.0 View orbitals and structure
• 4.1 Calculate properties at a point
• 4.2 Topology analysis
• 4.3 Output and plot various properties in a line
• 4.4 Output and plot various properties in a plane
• 4.5 Generate grid data and view isosurface map
• 4.6 Modify and check wavefunction
• 4.7 Population analysis and atomic charge calculation
• 4.8 Molecular orbital composition analysis
• 4.9 Bond order analysis
• 4.10 Plot density-of-states (DOS) maps
• 4.11 Plot various kinds of spectra
• 4.12 Quantitative analysis of molecular surface
• 4.13 Process grid data
• 4.14 Adaptive natural density partitioning (AdNDP) analysis
• 4.15 Fuzzy atomic space analysis
• 4.16 Charge decomposition analysis and plotting orbital interaction diagram
• 4.17 Basin analysis
• 4.18 Electron excitation analysis
• 4.19 Orbital localization analysis
• 4.20 Visual study of weak interactions
• 4.21 Energy decomposition analysis
• 4.22 Examples of conceptual density functional theory (CDFT) analysis
• 4.23 Examples of ETS-NOCV analysis
• 4.24 Examples of (hyper)polarizability analyses
• 4.25 Examples of electron delocalization and aromaticity analyses
• 4.100 Other functions (Part 1)
• 4.200 Other functions (Part 2)
• 4.300 Other functions (Part 3)
• 4.A Special topics and advanced tutorials