Multipole Modelling

Charge Density Analysis of Organic Nanocrystals via 3D ED Data

Charge Density Analysis of Organic Nanocrystals via 3D ED Data

I will give a short introduction into techniques for chemical-bonding analysis from single-crystal diffraction data (multipole modeling, X-ray wavefunction refinement) and into quantum-chemical methods for deriving bonding descriptors

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Quantum Crystallographic Bonding Analysis

I will give a short introduction into techniques for chemical-bonding analysis from single-crystal diffraction data (multipole modeling, X-ray wavefunction refinement) and into quantum-chemical methods for deriving bonding descriptors

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