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Chapter
18
Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization
Tools
18.1
Molecular Properties, Wavefunction Analysis, and Localized Orbitals
18.1.1
Selection of densities
18.1.2
Electrostatic moments
18.1.3
Relativistic corrections
18.1.4
Population analyses
18.1.5
Generation of localized MOs
18.1.6
Intrinsic Bond Orbitals Analysis
18.2
Interfaces to Visualization Tools
Visualization of Molecular Geometries
Visualization of Densities, MOs, Electrostatic Potentials and Fields
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