Relevance of the DFT method to study expanded porphyrins with different topologies-Reference-Cited by-同舟云学术

Relevance of the DFT method to study expanded porphyrins with different topologies

Published:2017-09-30 Issue:32 Volume:38 Page:2819-2828
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Torrent-Sucarrat Miquel¹²³^ORCID,Navarro Sara⁴,Cossío Fernando P.¹²^ORCID,Anglada Josep M.⁵^ORCID,Luis Josep M.⁴^ORCID

Affiliation:

1. Department of Organic Chemistry I; Universidad del País Vasco - Euskal Herriko Unibertsitatea (UPV/EHU) and Centro de Innovación en Química Avanzada (ORFEO-CINQA), Manuel Lardizabal Ibilbidea 3; San Sebastian Donostia 20018 Spain

2. Donostia International Physics Center (DIPC), Manuel Lardizabal Ibilbidea 4; San Sebastián/Donostia 20018 Spain

3. Ikerbasque, Basque Foundation for Science, María Díaz de Haro, 3, 6°; Bilbao 48013 Spain

4. Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona; Girona Catalonia E-17071 Spain

5. Departament de Química Biològica i Modelització Molecular; Institut de Química Avançada de Catalunya (IQAC-CSIC), c/Jordi Girona 18; Barcelona E-08034 Spain

Funder

Ministerio de Economía y Competitividad

Euskal Herriko Unibertsitatea

Basque Government

Generalitat de Catalunya

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference113 articles.

1. Hűckel molecular orbitals of Mőbius-type conformations of annulenes

2. Synthesis of a Möbius aromatic hydrocarbon