Results 131 to 140 of about 3,095,070 (339)

On edge-graceful labeling and deficiency for regular graphs

open access: yesAKCE International Journal of Graphs and Combinatorics, 2018
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
doaj   +1 more source

Contractible Hamiltonian cycles in triangulated surfaces [PDF]

open access: yesElemente der Mathematik, 2014
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 ...
openaire   +2 more sources

Mono‐ IrIII versus heterobimetallic IrIII‐AuI complexes for circularly polarized luminescence

open access: yesChemistry – A European Journal, Accepted Article.
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
wiley   +1 more source

Hamiltonian cycles in skirted trees [PDF]

open access: bronze, 1987
Mirostawa Skowrońska, M. M. Sysło
openalex   +1 more source

Hamiltonian cycles in I–graphs

open access: yesElectronic Notes in Discrete Mathematics, 2013
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
openaire   +3 more sources

Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

open access: yesChemMedChem, EarlyView.
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

Exploring Bonding in Bioinorganic Chemistry: Ab Initio Valence Bond Calculations of Iron(II)‐CO and Iron(IV)‐Oxo Units in Cytochrome P450 under Oriented External Electric Fields

open access: yesChemistry–Methods, EarlyView.
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
wiley   +1 more source

Boundary conditions and universal finite‐size scaling for the hierarchical |φ|4$|\varphi |^4$ model in dimensions 4 and higher

open access: yesCommunications on Pure and Applied Mathematics, EarlyView.
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

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