From quantum fragments to Lewis structures: Electron counting in position space
Publication date:
2018
Publisher version:
Citación:
Physical Chemistry Chemical Physics, 20(33), p. 21368-21380 (2018); doi:10.1039/c8cp04090g
Descripción física:
p. 21368-21380
ISSN:
DOI:
Patrocinado por:
We thank the spanish MINECO/FEDER, grant CTQ2015-65790-P, and the FICyT, grant GRUPIN14-049. The authors are also very grateful to José Luis Casals–Sainz for his valuable help in generating the wavefunctions of some of the systems that have been used in this work.
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