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Quantum Chemical Topology as a Theory of Open Quantum Systems

preprint
submitted 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.

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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