Standardization of Mark Tables and USCI-CF (Unit Subduced Cycle Indices with Chirality Fittingness) Tables Derived from Different D3h-Skeletons

2020 ◽  
Vol 93 (7) ◽  
pp. 880-897
Author(s):  
Shinsaku Fujita
Keyword(s):  
Chirality Fittingness ◽  
Cycle Indices

scholarly journals Standard mark table and standard USCI-CF table of the point group D6h. Unification of candidates derived from different D6h-skeletons

2021 ◽  
Vol 87 (3) ◽  
pp. 481-525
Author(s):  
Shinsaku Fujita ◽  
Keyword(s):  
Point Group ◽  
Gap Function ◽  
Combinatorial Enumeration ◽  
Cycle Index ◽  
Single Standard ◽  
Partial Cycle ◽  
Unit Subduced Cycle Index ◽  
Chirality Fittingness ◽  
Usci Approach ◽  
Cycle Indices

Combined-permutation representations (CPRs) for characterizing -skeletons (a benzene skeleton, a Haworth-projected skeleton, a superphane skeleton, and a coronene skeleton) are constructed by starting from respective sets of generators, where the permutation of each generator is combined with a mirror-permutation of 2-cycle to treat both achiral and chiral substituents under the GAP system. Thereby, the CPR of degree 8 (= 6 + 2) for the benzene skeleton, the CPR of degree 14 (= 12 + 2) for the Haworth-projected skeleton, the CPR of degree 14 (= 12 + 2) for the superphane skeleton, the CPR of degree 14 (= 12 + 2) for the coronene skeleton are generated to give primary mark tables (tables of marks) based on these CPRs. These primary mark tables generated by the GAP system are different in the sequence of subgroups from each other, although they stem from the same point group . They are unified into a single standard mark table by means of a newly-devised GAP function MarkTableforUSCI. Moreover, another newly-devised GAP function constructUSCITable is employed to construct a standard USCI-CF (unit-subduced-cycle-index-with-chirality-fittingness) table concordantly. After a set of PCI-CFs (partial cycle indices with chirality fittingness) is calculated for each skeleton, symmetry-itemized combinatorial enumeration is conducted by means of the PCI method of Fujita’s USCI approach (S. Fujita, Symmetry and Combinatorial Enumeration in Chemistry, Springer-Verlag, Berlin-Heidelberg, 1991).

scholarly journals Enumeration and investigation of acute 0/1-simplices modulo the action of the hyperoctahedral group

2017 ◽  
Vol 5 (1) ◽  
pp. 158-201
Author(s):  
Jan Brandts ◽  
Apo Cihangir
Keyword(s):  
Convex Hull ◽  
Computer Program ◽  
Explicit Form ◽  
Linear Algebra ◽  
Dihedral Angles ◽  
Cycle Index ◽  
Hyperoctahedral Group ◽  
Diagonally Dominant ◽  
Group B ◽  
Cycle Indices

Abstract The convex hull of n + 1 affinely independent vertices of the unit n-cube In is called a 0/1-simplex. It is nonobtuse if none its dihedral angles is obtuse, and acute if additionally none of them is right. In terms of linear algebra, acute 0/1-simplices in In can be described by nonsingular 0/1-matrices P of size n × n whose Gramians G = PTP have an inverse that is strictly diagonally dominant, with negative off-diagonal entries [6, 7]. The first part of this paper deals with giving a detailed description of how to efficiently compute, by means of a computer program, a representative from each orbit of an acute 0/1-simplex under the action of the hyperoctahedral group Bn [17] of symmetries of In. A side product of the investigations is a simple code that computes the cycle index of Bn, which can in explicit form only be found in the literature [11] for n ≤ 6. Using the computed cycle indices for B3, . . . ,B11 in combination with Pólya’s theory of enumeration shows that acute 0/1-simplices are extremely rare among all 0/1-simplices. In the second part of the paper, we study the 0/1-matrices that represent the acute 0/1-simplices that were generated by our code from a mathematical perspective. One of the patterns observed in the data involves unreduced upper Hessenberg 0/1-matrices of size n × n, block-partitioned according to certain integer compositions of n. These patterns will be fully explained using a so-called One Neighbor Theorem [4]. Additionally, we are able to prove that the volumes of the corresponding acute simplices are in one-to-one correspondence with the part of Kepler’s Tree of Fractions [1, 24] that enumerates ℚ ⋂ (0, 1). Another key ingredient in the proofs is the fact that the Gramians of the unreduced upper Hessenberg matrices involved are strictly ultrametric [14, 26] matrices.

scholarly journals Recurrence quantification analysis of two solar cycle indices

2017 ◽  
Vol 7 ◽  
pp. A5 ◽  
Author(s):  
Marco Stangalini ◽  
Ilaria Ermolli ◽  
Giuseppe Consolini ◽  
Fabrizio Giorgi
Keyword(s):  
Solar Cycle ◽  
Recurrence Quantification Analysis ◽  
Recurrence Quantification ◽  
Quantification Analysis ◽  
Cycle Indices

scholarly journals Solar Cycle Indices from the Photosphere to the Corona: Measurements and Underlying Physics

2015 ◽  
pp. 105-135
Author(s):  
Ilaria Ermolli ◽  
Kiyoto Shibasaki ◽  
Andrey Tlatov ◽  
Lidia van Driel-Gesztelyi
Keyword(s):  
Solar Cycle ◽  
Cycle Indices

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.

scholarly journals Cycle indices and subgroup lattices

1993 ◽  
Vol 118 (1-3) ◽  
pp. 173-195 ◽  
Author(s):  
I. Morris ◽  
C.D. Wensley
Keyword(s):  
Subgroup Lattices ◽  
Cycle Indices
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