Open access
Oct 2026
Cooperative stabilization mechanism and electrostatic evolution in the zero dimensional arsenolite cluster aggregates: a first principles investigation
Aggregation mechanism of molecular cage compounds is important in the understanding of cooperative intermolecular interactions which dictate the formation and stability of molecular solids. In this work, a comprehensive first-principles investigations are performed to explore the structural evolution, energetic stabili...
Basma Ali, Abdul Majid, Muhammad Tayyab Raza et al.
· RSC Advances · 0 citations