New electron delocalization tools to describe the aromaticity in porphyrinoids-Reference-Cited by-同舟云学术

New electron delocalization tools to describe the aromaticity in porphyrinoids

Published:2018 Issue:4 Volume:20 Page:2787-2796
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Casademont-Reig Irene¹²³⁴⁵^ORCID,Woller Tatiana⁶⁷⁸⁹,Contreras-García Julia¹⁰¹¹¹²¹³¹⁴^ORCID,Alonso Mercedes⁶⁷⁸⁹^ORCID,Torrent-Sucarrat Miquel¹²³⁴⁵^ORCID,Matito Eduard¹²³⁴⁵^ORCID

Affiliation:

1. Kimika Fakultatea

2. Euskal Herriko Unibertsitatea (UPV/EHU)

3. and Donostia International Physics Center (DIPC)

4. P.K. 1072

5. 20080 Donostia

6. Eenheid Algemene Chemie (ALGC). Vrije Universiteit Brussel (VUB)

7. Pleinlaan 2

8. 1050 Brussels

9. Belgium

10. Sorbonne Universités, UPMC Univ. Paris

11. UMR 7616 Laboratoire de Chimie Théorique

12. CNRS

13. UMR 7616

14. Paris

Abstract

There are several possible pathways in the macrocycle of large porphyrinoids and, among aromaticity indices, only AV_minis capable of recognizing the most aromatic one.

Funder

Fonds Wetenschappelijk Onderzoek

Ekonomiaren Garapen eta Lehiakortasun Saila, Eusko Jaurlaritza

Secretaría de Estado de Investigación, Desarrollo e Innovación

Vrije Universiteit Brussel

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07581B

Reference114 articles.