DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
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This thesis introduces modern computational approaches for quantifying and analyzing both intra- and intermolecular interactions. An original formalism to quantify intramolecular interactions ab initio is first introduced. Inspired from intermolecular Symm ...
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We have used accurate convergent beam electron diffraction to determine the structure factors of the reflections most sensitive to the valence-electron distribution in Mg2Si. The experimental values agree well with calculations of the structure factors bas ...
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