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Quantum Chemical Topology as a Theory of Open Quantum Systems

preprint
submitted on 31.10.2018 and posted on 02.11.2018 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.

Funding

MINECO/FEDER, grant CTQ2015-65790-P.

History

Email Address of Submitting Author

ampendas@uniovi.es

Institution

Universidad de Oviedo

Country

Spain

ORCID For Submitting Author

0000-0002-4471-4000

Declaration of Conflict of Interest

No conflict of interest

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in Journal of Chemical Theory and Computation

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