Extended Y-Rule Method for the Characterization of the Aromatic Sextets in Cata-Condensed Polycyclic Aromatic Hydrocarbons
Author:
Affiliation:
1. National Institute of Standards and Technology, NIST, Gaithersburg, Maryland 20899, United States
2. Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas Norte 152, Mexico City 07730, Mexico
Funder
Consejo Nacional de Ciencia y Tecnología
Secretaría de Energía de México
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp510180j
Reference60 articles.
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2. Circumacenes versus periacenes: HOMO–LUMO gap and transition from nonmagnetic to magnetic ground state with size
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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