1 citations · 1 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2024
Is the protactinium(V) mono-oxo bond weaker than what we thought?
Tamara Shaaban, Hanna Oher, Jean Aupiais +10
The bond distance is the simplest and most obvious indicator of the nature of a given chemical bond. However, for rare chemistry, it may happen that it is not yet firmly establishe…
physics.chem-ph2024★ 1 cited
Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
Jessica A. Martinez B., Matteo De Santis, Michele Pavanello +2
In this work we introduce a novel subsystem-based electronic structure embedding method that combines the projection-based block-orthogonalized Manby-Miller embedding (BOMME) with…