175 citations · 1.3k across the 40 of their papers we have counts for
Showing 2014 · physics.chem-phShow all
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physics.chem-ph2014★ 40 cited
A quantum informational approach for dissecting chemical reactions
Corinne Duperrouzel, Paweł Tecmer, Katharina Boguslawski +3
We present a conceptionally different approach to dissect bond-formation processes in metal-driven catalysis using concepts from quantum information theory. Our method uses the ent…
physics.chem-ph2014★ 116 cited
Orbital entanglement in quantum chemistry
Katharina Boguslawski, Paweł Tecmer
The basic concepts of orbital entanglement and its application to chemistry are briefly reviewed. The calculation of orbital entanglement measures from correlated wavefunctions is…