Challenging the electrostatic σ-hole picture of halogen bonding using minimal models and the interacting quantum atoms approach
Autor(es) y otros:
Fecha de publicación:
2021
Versión del editor:
Citación:
Journal of Computational Chemistry (2021), p. 1-12 (2021); doi: 10.1002/jcc.26488
Descripción física:
p. 1-12
ISSN:
DOI:
Patrocinado por:
Fernando Jiménez‐Grávalos, Miguel Gallegos, and Ángel Martín Pendás acknowledge the Spanish MICINN (grant PGC2018‐095953‐B‐I00), the FICyT (grant FC‐GRUPIN‐IDI/2018/000177), and the European Union FEDER for financial support. Fernando Jiménez‐Grávalos and Miguel Gallegos specially acknowledge the Spanish MICINN for predoctoral grants BES‐2016‐076986 and FPU19/02903, respectively. Alexander S. Novikov acknowledges the Russian Science Foundation for the support of his theoretical studies (project No. 19‐73‐00001).
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