CORDIS Project
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This project aims to enhance the understanding of molecular crystals by developing methods in quantum crystallography. It combines high-resolution X-ray and neutron diffraction with quantum chemical calculations to accurately estimate electronic and chemical properties.
Most of the known organic compounds exist in crystalline form, and their stability, electronic properties and reactivity depend upon the electron density distribution in the molecules and the intermolecular interactions.
This project aims to develop methods in the field of quantum crystallography to estimate accurate electronic and chemical properties of molecular crystals from a combination of ultra-high resolution X-ray /neutron diffraction experiments and quantum chemical calculations.
Exper…
AARHUS UNIVERSITET
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