Results 131 to 140 of about 3,095,070 (339)
On edge-graceful labeling and deficiency for regular graphs
An edge-graceful labeling of a finite simple graph with vertices and edges is a bijection from the set of edges to the set of integers such that the vertex sums are pairwise distinct modulo , where the vertex sum at a vertex is the sum of labels of all ...
Tao-Ming Wang, Guang-Hui Zhang
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Contractible Hamiltonian cycles in triangulated surfaces [PDF]
A triangulation of a surface is called $q$-equivelar if each of its vertices is incident with exactly $q$ triangles. In 1972 Altshuler had shown that an equivelar triangulation of torus has a Hamiltonian Circuit. Here we present a necessary and sufficient condition for existence of a contractible Hamiltonian Cycle in equivelar triangulation of a ...
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Mono‐ IrIII versus heterobimetallic IrIII‐AuI complexes for circularly polarized luminescence
Fundamental rationalization of the structural–circularly polarized luminescence (CPL) activity relationship is a challenging task. Herein, a pair of enantiopure, heterobimetallic IrIII–AuI complexes IrAu‐4 featuring chirality‐at‐metal is thoroughly investigated by means of spectroscopical and computational techniques, also including spin‐orbital ...
Lavinia Ballerini+9 more
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Hamiltonian cycles in skirted trees [PDF]
Mirostawa Skowrońska, M. M. Sysło
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Hamiltonian cycles in I–graphs
Abstract The I–graphs generalize the family of generalized Petersen graphs. We show that a connected I–graph which is not a generalized Petersen graph is Hamiltonian.
BONVICINI, Simona, Pisanski, Tomaž
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Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization
A multitier computational strategy discovers potential USP7 inhibitors using similarity‐based virtual screening, physics‐driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. This integrated approach prioritizes and optimizes lead compounds with strong predicted affinity, offering ...
Ehsan Sayyah+2 more
wiley +1 more source
Ab initio valence bond calculations under oriented electric fields along the bond axis of Fe(II)‐CO and Fe(IV)‐oxo units in cytochrome P450 enzymes highlight their effectiveness in probing complex bonding characteristics and ligand effects in bioinorganic systems.
Enhua Zhang, Hajime Hirao
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A matching and a Hamiltonian cycle of the fourth power of a connected graph [PDF]
Ladislav Nebeský
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Abstract We analyse and clarify the finite‐size scaling of the weakly‐coupled hierarchical n$n$‐component |φ|4$|\varphi |^4$ model for all integers n≥1$n \ge 1$ in all dimensions d≥4$d\ge 4$, for both free and periodic boundary conditions. For d>4$d>4$, we prove that for a volume of size Rd$R^{d}$ with periodic boundary conditions the infinite‐volume ...
Emmanuel Michta+2 more
wiley +1 more source
Hamiltonian problems in edge-colored complete graphs and eulerian cycles in edge-colored graphs : some complexity results [PDF]
A. Benkouar+3 more
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