Results 1 to 10 of about 489,454 (164)

Metric, edge-metric, mixed-metric, and fault-tolerant metric dimensions of geometric networks with potential applications

Scientific Reports
Resolvability parameters of graphs are widely applicable in fields like computer science, chemistry, and geography. Many of these parameters, such as the metric dimension, are computationally hard to determine. This paper focuses on Möbius-type geometric
Sakander Hayat, Rishi Naeem, Hafiz Muhammad Afzal Siddiqui, Amina Riaz, Muhammad Imran, Melaku Berhe Belay, Zeineb Klai   +6 more
doaj   +1 more source

Recent advances and future challenges in the bottom-up synthesis of azulene-embedded nanographenes

Beilstein Journal of Organic Chemistry
In recent years, significant progress has been made in the synthesis of various nanographenes incorporating non-benzenoid rings, expanding the scope of molecular design beyond all-hexagon polycyclic aromatic hydrocarbons (PAHs). Among these, π-conjugated
Bartłomiej Pigulski
doaj   +1 more source

Polansky's benzenoid character and the electron content of rings of benzenoid hydrocarbons

, 2005
Summary: In 2004 Balaban and Randić put forward a method to assess the \(\pi\)-electron content EC of rings of benzoid hydrocarbins. Much earlier, in the 1960s, Oskar Polansky conceived and elaborated the concept of benzenoid character \(\rho\) of the same rings.
Gutman, Ivan, Gojak, Sabina, Turkovic, Nedzad, Furtula, Boris   +3 more
openaire   +2 more sources

Prediction of $$\pi$$ -electronic energy and physical properties of benzenoid hydrocarbons using domination degree based entropies

Scientific Reports
This study introduces a novel approach to calculating graph entropies using topological indices, inspired by Shannon’s entropy concept. These entropies, as information-theoretic measures, are applied to evaluate the structural properties of chemical ...
Geethu Kuriachan, A. Parthiban
doaj   +1 more source

A simple formula for calculating resonance energy of benzenoid hydrocarbons

Macedonian Journal of Chemistry and Chemical Engineering, 2006
The topological resonance energy (TRE) of a catacondensed benzenoid hydrocarbon with h six-membered rings and K Kekulé structures can be calculated by the (approximate) formula TRE = Ah + B + CK e–Dh, where A = 0.136, B = –0.223, C = 0.281, and D = 0.454.
Ivan Gutman, Slavko Slavko Radenković
doaj  

Optimization model for predicting quantum theoretic characteristics of hexagonal systems using temperature dependent graph theoretic estimators

Scientific Reports
This study explores how graph-based models can be used to predict key electronic properties of molecular structures, particularly benzenoid hydrocarbons as hexagonal systems. By focusing on temperature-related indices that reflect how atoms are connected
Yunji Huang, Sakander Hayat, Noorazam Tuah, Asad Khan, Yubin Zhong, Mohammed J. F. Alenazi   +5 more
doaj   +1 more source

Harmonic–Arithmetic Index for the Generalized Mycielskian Graphs and Graphenes With Curvilinear Regression Models of Benzenoid Hydrocarbons

Computational and Mathematical Methods
The generalized Mycielskian graphs are known for their advantageous properties employed in interconnection networks in parallel computing to provide efficient and optimized network solutions. This paper focuses on investigating the bounds and computation
Pooja Danushri Namidass, Shobana Loganathan   +1 more
doaj   +1 more source

Probing Effects of Electron Addition to Polycyclic Conjugated Hydrocarbons Containing Four‐Membered Rings

ChemistryEurope
The rectangular cyclobutadiene (CBD, C4H4) is a unique moiety for building nonbenzenoid polycyclic conjugated hydrocarbons with interesting electron‐accepting properties.
Yikun Zhu, Ke Zheng, Zheng Wei, Yan Xia, Marina A. Petrukhina   +4 more
doaj   +1 more source

Modeling the Physicochemical Characteristics of Benzene Compounds Utilizing Zagreb Eta Indices

Journal of Chemistry
This study presents the Zagreb Eta indices, a novel family of degree-based topological descriptors defined through multiplicative combinations of neighboring vertex degrees, designed to model the physicochemical properties of benzenoid hydrocarbons ...
İdris Çiftçi
doaj   +1 more source

Resonance in Large Benzenoid Hydrocarbons

Croatica Chemica Acta, 1996
Pi-sextet resonance between Kekulé valence structures of benzenoid hydrocarbons are depicted by benzenoid resonance graphs. We outline the construction of the resonance graphs for families of benzenoid compounds. For the compounds considered the resonance graphs are built from fused ra-dimensional cubes.
Randić, Milan, Klein, Douglas J., El-Basil, Sherif, Calkins, Patricia   +3 more
openaire   +1 more source