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Original Articles

NOTE ON THE Y-RULE IN CLAR THEORY

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Pages 41-49 | Received 24 Oct 2006, Accepted 05 Nov 2006, Published online: 06 Mar 2007

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Read on this site (2)

Jelena Đurđević, Ivan Gutman, Julijana Terzić & AlexandruT. Balaban. (2009) CYCLIC CONJUGATION IN FLUORANTHENE AND ITS BENZO-DERIVATIVES. PART 1. CATACONDENSED SYSTEMS. Polycyclic Aromatic Compounds 29:2, pages 90-102.
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Ivan Gutman & Sonja Stanković. (2007) TESTING THE Y–RULE IN CLAR THEORY. Polycyclic Aromatic Compounds 27:5, pages 425-436.
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Articles from other publishers (20)

Yosadara Ruiz‐Morales & Fernando Alvarez‐Ramírez. (2023) Usage of the Y‐Rule and the Effect of the Occurrence of Heteroatoms (N, S) on the Frontier Molecular Orbitals Gap of Polycyclic Aromatic Hydrocarbons (PAHs), and Asphaltene‐PAHs. ChemPhysChem 24:9.
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Miquel Solà, Alexander I. Boldyrev, Michał K. Cyrański, Tadeusz M. Krygowski & Gabriel Merino. 2022. Aromaticity and Antiaromaticity. Aromaticity and Antiaromaticity 11 33 .
Yosadara Ruiz-Morales. (2022) Application of the Y-Rule and Theoretical Study to Understand the Topological and Electronic Structures of Polycyclic Aromatic Hydrocarbons from Atomic Force Microscopy Images of Soot, Coal Asphaltenes, and Petroleum Asphaltenes. Energy & Fuels 36:16, pages 8725-8748.
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Yosadara Ruiz-Morales & Fernando Alvarez-Ramírez. (2021) Mesoscale Dissipative Particle Dynamics to Investigate Oil Asphaltenes and Sodium Naphthenates at the Oil−Water Interface. Energy & Fuels 35:11, pages 9294-9311.
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Sushil Kumar & Yu‐Tai Tao. (2021) Coronenes, Benzocoronenes and Beyond: Modern Aspects of Their Syntheses, Properties, and Applications. Chemistry – An Asian Journal 16:6, pages 621-647.
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Nooramalina Diana, Yasuhiro Yamada, Syun Gohda, Hironobu Ono, Shingo Kubo & Satoshi Sato. (2020) Carbon materials with high pentagon density. Journal of Materials Science 56:4, pages 2912-2943.
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Renana Gershoni-Poranne & Amnon Stanger. 2021. Aromaticity. Aromaticity 99 154 .
Yosadara Ruiz-Morales, Alma Delia Miranda-Olvera, Benjamı́n Portales-Martı́nez & J. M. Domı́nguez. (2020) Experimental and Theoretical Approach To Determine the Average Asphaltene Structure of a Crude Oil from the Golden Lane (Faja de Oro) of Mexico. Energy & Fuels 34:7, pages 7985-8006.
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Fernando Alvarez-Ramírez & Yosadara Ruiz-Morales. (2019) Database of Nuclear Independent Chemical Shifts (NICS) versus NICS ZZ of Polycyclic Aromatic Hydrocarbons (PAHs) . Journal of Chemical Information and Modeling 60:2, pages 611-620.
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Yosadara Ruiz-Morales, Alma Delia Miranda-Olvera, Benjamı́n Portales-Martínez & J.M. Domínguez. (2019) Determination of 13 C NMR Chemical Shift Structural Ranges for Polycyclic Aromatic Hydrocarbons (PAHs) and PAHs in Asphaltenes: An Experimental and Theoretical Density Functional Theory Study . Energy & Fuels 33:9, pages 7950-7970.
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Erin M. Adkins & J. Houston Miller. (2017) Towards a taxonomy of topology for polynuclear aromatic hydrocarbons: linking electronic and molecular structure. Phys. Chem. Chem. Phys. 19:41, pages 28458-28469.
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Jorge O. Oña-Ruales, Yosadara Ruiz-Morales & Stephen A. Wise. (2016) Identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons in a complex mixture of polycyclic aromatic hydrocarbons from coal tar. Journal of Chromatography A 1442, pages 83-93.
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Jorge O. Oña-Ruales & Yosadara Ruiz-Morales. (2014) Extended Y-Rule Method for the Characterization of the Aromatic Sextets in Cata-Condensed Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry A 118:51, pages 12262-12273.
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Jorge O. Oña-Ruales & Yosadara Ruiz-Morales. (2014) The Predictive Power of the Annellation Theory: The Case of the C 32 H 16 Benzenoid Polycyclic Aromatic Hydrocarbons . The Journal of Physical Chemistry A 118:28, pages 5212-5227.
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Yosadara Ruiz-Morales & Oliver C. Mullins. (2013) Singlet–Triplet and Triplet–Triplet Transitions of Asphaltene PAHs by Molecular Orbital Calculations. Energy & Fuels 27:9, pages 5017-5028.
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Fernando Alvarez-Ramírez & Yosadara Ruiz-Morales. (2013) Island versus Archipelago Architecture for Asphaltenes: Polycyclic Aromatic Hydrocarbon Dimer Theoretical Studies. Energy & Fuels 27:4, pages 1791-1808.
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Yosadara Ruiz-Morales. (2009) Aromaticity in pericondensed cyclopenta-fused polycyclic aromatic hydrocarbons determined by density functional theory nucleus-independent chemical shifts and the Y-rule — Implications in oil asphaltene stability. Canadian Journal of Chemistry 87:10, pages 1280-1295.
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Yosadara Ruiz-Morales & Oliver C. Mullins. (2008) Measured and Simulated Electronic Absorption and Emission Spectra of Asphaltenes. Energy & Fuels 23:3, pages 1169-1177.
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Anirban Misra, D. J. Klein & T. Morikawa. (2009) Clar Theory for Molecular Benzenoids. The Journal of Physical Chemistry A 113:6, pages 1151-1158.
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Ivan Gutman & Sonja Stanković. (2008) Comparing the stability of tribenzo[b,n,pqr]perylene and tribenzo[b,k,pqr]perylene. Monatshefte für Chemie - Chemical Monthly 139:10, pages 1179-1184.
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