Výsledky vyhledávání - "S. Ruth Julie Kavitha"

Akademický článek

Topological and Spectral Properties of Wavy Zigzag Nanoribbons

Autor: Micheal Arockiaraj, J. Celin Fiona, S. Ruth Julie Kavitha, Arul Jeya Shalini, Krishnan Balasubramanian

Publikováno v: Molecules, Vol 28, Iss 1, p 152 (2022)

Low-dimensional graphene-based nanomaterials are interesting due to their cutting-edge electronic and magnetic properties. Their large surface area, strong mechanical resistance, and electronic properties have enabled potential pharmaceutical and opt

Externí odkaz: https://doaj.org/article/7721e7e783784a12932c2a286d1d5d2a

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Topological Characterization and Graph Entropies of Tessellations of Kekulene Structures: Existence of Isentropic Structures and Applications to Thermochemistry, Nuclear Magnetic Resonance, and Electron Spin Resonance

Autor: Krishnan Balasubramanian, S. Ruth Julie Kavitha, Jessie Abraham, Micheal Arockiaraj, Joseph Jency

Publikováno v: The Journal of Physical Chemistry A. 125:8140-8158

Tessellations of kekulenes and cycloarenes are of considerable interest as nanomolecular belts in trapping and transportation of heavy metal ions and chloride ions, as they possess optimal electronic features and pore sizes. A class of cycloarenes ca

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d9076a247086008cb9dfc8cbacd6ffb
https://doi.org/10.1021/acs.jpca.1c06264

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Two-dimensional coronene fractal structures: topological entropy measures, energetics, NMR and ESR spectroscopic patterns and existence of isentropic structures

Autor: Micheal Arockiaraj, Joseph Jency, Jessie Abraham, S. Ruth Julie Kavitha, Krishnan Balasubramanian

Molecular fractals are geometric patterns that appear self-similar across all length scales and are constructed by repeating a single unit on a regular basis. The benzenoid compounds are found to have a natural pattern that helps to analyse and explo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16f23eb1cf10cad08567be76ac20e735

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Topological characterization of hexagonal and rectangular tessellations of kekulenes as traps for toxic heavy metal ions

Autor: Krishnan Balasubramanian, Micheal Arockiaraj, S. Ruth Julie Kavitha, M. Arulperumjothi, S. Prabhu

Publikováno v: Theoretical Chemistry Accounts. 140

Cycloarenes are polycyclic aromatic hydrocarbons formed by circularly fused benzene rings, which provide a potential cavity trap for metal ions. These polycyclic aromatics have been the focus of several studies due to their superaromaticity, magnetic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7076ff3bb2a1e9e571f38994a78ef8de
https://doi.org/10.1007/s00214-021-02733-0

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Topological Characterization of Coronoid Polycyclic Aromatic Hydrocarbons

Autor: Joseph Clement, S. Ruth Julie Kavitha, Krishnan Balasubramanian, Micheal Arockiaraj, Indra Rajasingh

Publikováno v: Polycyclic Aromatic Compounds. 40:784-802

Stimulated by recent experimental and theoretical interest in coronoids, a class of polycyclic aromatic compounds, we have developed graph-theoretically based topological indices for the characteri...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0fc4406a0f4cec916cafea4cc0046967
https://doi.org/10.1080/10406638.2018.1484778

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