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Quantum Chemical Topology as a Theory of Open Quantum Systems
preprintsubmitted on 31.10.2018, 17:30 and posted on 02.11.2018, 11:37 by Angel Martín Pendás, Evelio Francisco
We show how Quantum Chemical Topology can be interpreted within the Theory of Open Quantum Systems. Chemical bonding can then be understood as a consequence of entanglement. The computational implementation is based on the PROMOLDEN code, which is available upon request from the same authors.
Read the published paper
in Journal of Chemical Theory and Computation