External Pressure in Conceptual Density Functional Theory: Molecular Reactivity and Electronic Structure via the Extreme Pressure Polarizable Continuum Model. Vrije Universiteit Brussel
of substances has been the subject of long-standing interest in
chemistry, scrutinizing molecular behavior at extreme pressures has
spiked in recent years. A scientific knowledge gap, however, is still
present on how and why chemistry at the molecular level under high
pressure is different from that at ambient conditions. The global aim
...