59 citations · 186 across the 22 of their papers we have counts for
3 papers · 1 filter
Linear Response Properties of Solvated Systems: A Computational Study
Linda Goletto, Sara Gómez, Josefine H. Andersen +2
We present a computational study of static and dynamic linear polarizabilities in solution. We use different theoretical approaches to describe solvent effects, ranging from quantu…
Assessing the Quality of QM/MM Approaches to Describe Vacuo-to-water Solvatochromic Shifts
Luca Nicoli, Tommaso Giovannini, Chiara Cappelli
The performance of different Quantum Mechanics/Molecular Mechanics embedding models to compute vacuo-to-water solvatochromic shifts are investigated. In particular, both non-polari…
Strong coupling in chiral cavities: nonperturbative framework for enantiomer discrimination
Rosario R. Riso, Laura Grazioli, Enrico Ronca +2
The development of efficient techniques to distinguish mirror images of chiral molecules (enantiomers) is very important in both chemistry and physics. Enantiomers share most molec…