Lewis structures from open quantum systems natural orbitals: real space adaptive natural density partitioning
Publication date:
2021
Publisher version:
Citación:
The Journal of Physical Chemistry A, 125(18), p. 4013-4025 (2021); doi:10.1021/acs.jpca.1c01689
Descripción física:
p. 4013-4025
Local Notes:
OA ATUO21
Patrocinado por:
We thank the Spanish MICINN, grant PGC2018-095953-BI00, the FICyT, grant FC-GRUPIN-IDI/2018/000177, and the European Union FEDER for funding.
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