Theoretical Prediction of Benzyne-Like Species in Pyrene Diradicals-Reference-Cited by-同舟云学术

Theoretical Prediction of Benzyne-Like Species in Pyrene Diradicals

Published:2004-05-18 Issue:23 Volume:108 Page:5111-5116
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

García-Cruz I.¹,Martínez-Magadán J. M.¹,Bofill J. M.¹,Illas F.¹

Affiliation:

1. Programa de Ingenieria Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, Colonia San Bartolo Atepehuacán, México D. F., 07730, México, Departament de Química Orgànica i Centre especial de Recerca en Química Teòrica, Universitat de Barcelona i Parc Científic de Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain, and Departament de Química Física i Centre especial de Recerca en Química Teòrica, Universitat de Barcelona i Parc Científic de Barcelona, C/Martí i Franquès 1,...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp037795r

Reference61 articles.

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2. Formation of polycyclic aromatic hydrocarbons and their radicals in a nearly sooting premixed benzene flame

3. HOMO−LUMO Gap as an Index of Molecular Size and Structure for Polycyclic Aromatic Hydrocarbons (PAHs) and Asphaltenes: A Theoretical Study. I

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