output
20072026
most citedComputer Modeling of Halogen Bonds and Other -Hole Interactions

653 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2020 · physics.chem-phShow all

2 papers · 2 filters

physics.chem-ph2020★ 13 cited

Benzene radical anion in the context of the Birch reduction: when solvation is the key

Krystof Brezina, Pavel Jungwirth, Ondrej Marsalek

The benzene radical anion is an important intermediate in the Birch reduction of benzene by solvated electrons in liquid ammonia. Beyond organic chemistry, it is an intriguing subj…

physics.chem-ph2020★ 22 cited

Ground State of the Fe(II)-porphyrin Model System Corresponds to the Quintet State: A DFT and DMRG-based Tailored CC Study

Andrej Antalík, Dana Nachtigallová, Rabindranath Lo +6

Fe(II)-porphyrins (FeP) play an important role in many reactions relevant to material science and biological processes, due to their closely lying spin states. However, this small…