Applying the conjugated circuits method to Clar structures of [n]phenylenes for determining resonance energies

2011 ◽  
Vol 13 (46) ◽  
pp. 20644 ◽  
Author(s):  
Milan Randić ◽  
Alexandru T. Balaban ◽  
Dejan Plavšić
Keyword(s):  
Resonance Energies ◽  
Conjugated Circuits ◽  
Clar Structures

Aromaticity in heterocyclic molecules containing divalent sulfur

1988 ◽  
Vol 53 (9) ◽  
pp. 2023-2054 ◽  
Author(s):  
Milan Randić ◽  
Sonja Nikolić ◽  
Nenad Trinajstić
Keyword(s):  
Sulfur Atom ◽  
Positional Isomers ◽  
Heterocyclic Molecules ◽  
Resonance Energies ◽  
Conjugated Circuits ◽  
Divalent Sulfur

The conjugated circuits model is applied to heterocycles containing divalent sulfur. A novel parametrization is introduced for 4n + 2 and 4n conjugated circuits containing a single sulfur atom. The relative aromatic stabilities of a number of heterocyclic systems containing divalent sulfur are studied. Comparison is made whenever possible with earlier reported resonance energies of these compounds, obtained by using Huckel MO and SCF π-MO models, and appropriate reference structures. Special attention is given to positional isomers. An explanation of the differences amongst such isomers is given.

scholarly journals Combinatorics of Edge Symmetry: Chiral and Achiral Edge Colorings of Icosahedral Giant Fullerenes: C80, C180, and C240

Symmetry ◽  
2020 ◽  
Vol 12 (8) ◽  
pp. 1308
Author(s):  
Krishnan Balasubramanian
Keyword(s):  
Equivalence Classes ◽  
Group Symmetry ◽  
Irreducible Representations ◽  
Inversion Method ◽  
High Symmetry ◽  
Edge Colorings ◽  
Edge Group ◽  
Resonance Energies ◽  
Conjugated Circuits ◽  
Cycle Indices

We develop the combinatorics of edge symmetry and edge colorings under the action of the edge group for icosahedral giant fullerenes from C80 to C240. We use computational symmetry techniques that employ Sheehan’s modification of Pόlya’s theorem and the Möbius inversion method together with generalized character cycle indices. These techniques are applied to generate edge group symmetry comprised of induced edge permutations and thus colorings of giant fullerenes under the edge symmetry action for all irreducible representations. We primarily consider high-symmetry icosahedral fullerenes such as C80 with a chamfered dodecahedron structure, icosahedral C180, and C240 with a chamfered truncated icosahedron geometry. These symmetry-based combinatorial techniques enumerate both achiral and chiral edge colorings of such giant fullerenes with or without constraints. Our computed results show that there are several equivalence classes of edge colorings for giant fullerenes, most of which are chiral. The techniques can be applied to superaromaticity, sextet polynomials, the rapid computation of conjugated circuits and resonance energies, chirality measures, etc., through the enumeration of equivalence classes of edge colorings.

(p, γ) Resonance-Curve Shapes and Measurements of Resonance Energies withH2+Beams

1963 ◽  
Vol 132 (4) ◽  
pp. 1710-1719 ◽  
Author(s):  
R. O. Bondelid ◽  
J. W. Butler
Keyword(s):  
Resonance Curve ◽  
Resonance Energies

High precision time-of-flight measurements of neutron resonance energies in carbon and oxygen between 3 and 30 MeV

1980 ◽  
Vol 169 (1) ◽  
pp. 185-198 ◽  
Author(s):  
S. Cierjacks ◽  
F. Hinterberger ◽  
G. Schmalz ◽  
D. Erbe ◽  
P.v. Rossen ◽  
...  
Keyword(s):  
High Precision ◽  
Time Of Flight ◽  
Neutron Resonance ◽  
Resonance Energies ◽  
Precision Time ◽  
Flight Measurements

scholarly journals On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function

Symmetry ◽  
2010 ◽  
Vol 2 (3) ◽  
pp. 1653-1682 ◽  
Author(s):  
Jun Zhu ◽  
Christian Dahlstrand ◽  
Joshua R. Smith ◽  
Sébastien Villaume ◽  
Henrik Ottosson
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Clar Structures

scholarly journals Cyclotron Resonance Energies at a Low X-Ray Luminosity: A0535+262 Observed with Suzaku

2006 ◽  
Vol 648 (2) ◽  
pp. L139-L142 ◽  
Author(s):  
Y. Terada ◽  
T. Mihara ◽  
M. Nakajima ◽  
M. Suzuki ◽  
N. Isobe ◽  
...  
Keyword(s):  
Cyclotron Resonance ◽  
X Ray ◽  
Resonance Energies ◽  
Low X
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