Results 121 to 130 of about 3,864 (163)

Two-dimensional coronene fractals: modified reverse degree indices, comparative analysis of information entropy and predictive modeling of spectral properties. [PDF]

Front Chem
Kalaam ARA, Greeni AB.
europepmc   +1 more source

Fluoranthene-Containing Distorted Nanographenes Exhibiting Two-Photon Absorption Response. [PDF]

Org Lett
Bergner J, Páez JL, Maçôas E, Álvaro-Martins M, Borstelmann J, Misselwitz E, Rominger F, Cruz CM, Kivala M, Campaña AG.   +9 more
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Structural Exploration and Expected values of Topological Indices of Square-Hexagonal <i>T</i> _2,3 Kink Chains for Advanced Engineering Applications. [PDF]

ACS Omega
Kanwal S, Khalil M, Razzaque A.
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Bistability between π-diradical open-shell and closed-shell states in indeno[1,2-a]fluorene. [PDF]

Nat Chem
Mishra S, Vilas-Varela M, Lieske LA, Ortiz R, Fatayer S, Rončević I, Albrecht F, Frederiksen T, Peña D, Gross L.   +9 more
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Heptacyclic aromatic hydrocarbon isomers with two azulene units fused. [PDF]

Chem Sci
Guo J, Du F, Yu B, Du P, Li H, Zhang J, Xin H.   +6 more
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Bilayer nanographenes: structure, properties, and synthetic challenges.

Chem Soc Rev
Izquierdo-García P, Lión-Villar J, Fernández-García JM, Martín N.   +3 more
europepmc   +1 more source

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Embedding in Benzenoid Hydrocarbons

Journal of Chemical Information and Computer Sciences, 1996
Using the embedding scheme and a rule we proposed previously, in this work we discuss common eigenvalues and their degeneracies in benzenoid molecular graphs.
Jun Liu, Yuansheng Jiang
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Aromaticity of Nonplanar Fully Benzenoid Hydrocarbons

The Journal of Physical Chemistry A, 2017
The Clar aromatic sextet theory can provide a qualitative description of the dominant modes of cyclic π-electron conjugation in benzenoid molecules and of the relative stability among a series of isomeric benzenoid systems. In a series of nonplanar fully benzenoid hydrocarbons, the predictions of the Clar theory were tested by means of several ...
Marija Antić, Boris Furtula, Slavko Radenković   +2 more
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On the Number of Benzenoid Hydrocarbons

Journal of Chemical Information and Computer Sciences, 2002
We present a new algorithm which allows a radical increase in the computer enumeration of benzenoids b(h) with h hexagons. We obtain b(h) up to h = 35. We prove that b(h) approximately const.kappa(h), prove the rigorous bounds 4.789 < or = kappa < or = 5.905, and estimate that kappa = 5.16193016(8).
Markus, Vöge, Anthony J, Guttmann, Iwan, Jensen   +2 more
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Giant Benzenoid Hydrocarbons. Superphenalene Resonance Energy

Polycyclic Aromatic Compounds, 1999
Abstract We calculated molecular resonance energy for “0superphenalene”, a recently reported giant benzenoid which can be viewed as obtained from three fused “superbenzenes” (hexa-peri-hexabenzocoronenes). Using the Method of Conjugated Circuits we derived quantitative characterization of Clar's qualitative description of the considered benzenoids as ...
Randic, M., Guo, X. F.
openaire   +1 more source