About the Department
O.V. Shishkin Department of X-ray Diffraction Studies and Quantum Chemistry
The Department combines various experimental and theoretical approaches to study the molecular and crystal structures of compounds. Historically focused on conducting experimental work, from 1999 to 2014, under the leadership of O.V. Shishkin, the department attracted specialists and resources for the development of applied quantum-chemical calculations, which ended up in new multifaceted approaches and methods for studying the supramolecular organization and molecular characteristics of organic, complex-organic, and inorganic substances.
Main Scientific Directions
- Research on the crystal structures of organic and complex-organic substances, particularly in the field of polymorphism of crystal structures;
- Phase analysis of crystals, temperature studies of phase and/or polymorphic transitions, hydration/dehydration processes;
- Studying the role of intermolecular interactions in the formation of supramolecular systems, including crystal structures;
- The mutual influence of supramolecular organization and molecular structure of substances, the dependence of biochemical and physicochemical properties of substances on the supramolecular environment of the molecule;
- The effect of pressure and mechanical stress on crystal structures;
- Study of the crystalline forms of pharmaceuticals using powder X-ray diffraction analysis methods.