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Special Issue: Advances in Mathematical Chemistry

Guest Editors

Prof. Jose M. Rodriguez
Departamento de Matemáticas, Universidad Carlos III de Madrid, Avenida de la Universidad 30, 28911 Leganés, Madrid, Spain
Email: jomaro@math.uc3m.es


Prof. José M. Sigarreta
Facultad de Matematicas, Universidad Autónoma de Guerrero, Acapulco, Mexico
Email: josemariasigarretaalmira@hotmail.com

Manuscript Topics


Topological indices are a current topic of research in Mathematical Chemistry because of their multiple theoretical and practical applications to different areas of science such as: chemistry, physics, computer science, environmental sciences, among others, since a topological index is a numerical value that tries to capture the essence of some property of a discrete structure.


Some of the most important lines of research related with topological indices are the study of their mathematical and computational properties, finding optimal bounds and new relationships between known topological indices, establishing relationships between topological indices and other theories (domination, random matrix theory, complexity, etc.), proposing new topological descriptors, and applying topological indices to the study of different problems in science and technology.


Keywords: Topological Indices; Topological Descriptors; Molecular Descriptors; Graph Optimization Problems; Polynomials on Topological Indices; Domination Theory; Mathematical Chemistry; Physical Chemistry; Complex Systems; Complexity; Random Matrix Theory


Instructions for authors
https://www.aimspress.com/mbe/news/solo-detail/instructionsforauthors
Please submit your manuscript to online submission system
https://aimspress.jams.pub/

Paper Submission

All manuscripts will be peer-reviewed before their acceptance for publication. The deadline for manuscript submission is 30 December 2022

Published Papers(18)

Research article
On the variable inverse sum deg index
Edil D. Molina Paul Bosch José M. Sigarreta Eva Tourís
2023, Volume 20, Issue 5: 8800-8813. doi: 10.3934/mbe.2023387
Abstract HTML PDF Cited (1) Viewed (1834)
Research article
Tetrahedral sheets of clay minerals and their edge valency-based entropy measures
Qingqun Huang Muhammad Labba Muhammad Azeem Muhammad Kamran Jamil Ricai Luo
2023, Volume 20, Issue 5: 8068-8084. doi: 10.3934/mbe.2023350
Abstract HTML PDF Cited (2) Viewed (1615)
Research article
Some new results on the face index of certain polycyclic chemical networks
Ricai Luo Khadija Dawood Muhammad Kamran Jamil Muhammad Azeem
2023, Volume 20, Issue 5: 8031-8048. doi: 10.3934/mbe.2023348
Abstract HTML PDF Cited (7) Viewed (1708)
Research article
Extremal values of VDB topological indices over F-benzenoids with equal number of edges
Fengwei Li Qingfang Ye Juan Rada
2023, Volume 20, Issue 3: 5169-5193. doi: 10.3934/mbe.2023240
Abstract HTML PDF Cited (2) Viewed (2057)
Research article
A study on anti-malaria drugs using degree-based topological indices through QSPR analysis
Xiujun Zhang H. G. Govardhana Reddy Arcot Usha M. C. Shanmukha Mohammad Reza Farahani Mehdi Alaeiyan
2023, Volume 20, Issue 2: 3594-3609. doi: 10.3934/mbe.2023167
Abstract HTML PDF Cited (30) Viewed (2988)
Research article
Breast cancer chemical structures and their partition resolvability
Qingqun Huang Adnan Khalil Didar Abdulkhaleq Ali Ali Ahmad Ricai Luo Muhammad Azeem
2023, Volume 20, Issue 2: 3838-3853. doi: 10.3934/mbe.2023180
Abstract HTML PDF Cited (8) Viewed (2231)
Research article
Revan Sombor indices: Analytical and statistical study
V. R. Kulli J. A. Méndez-Bermúdez José M. Rodríguez José M. Sigarreta
2023, Volume 20, Issue 2: 1801-1819. doi: 10.3934/mbe.2023082
Abstract HTML PDF Cited (1) Viewed (2240)
Research article
Expected Value of Multiplicative Degree-Kirchhoff Index in Random Polygonal Chains
Xinmei Liu Xinfeng Liang Xianya Geng
2023, Volume 20, Issue 1: 707-719. doi: 10.3934/mbe.2023032
Abstract HTML PDF Cited (1) Viewed (1812)
Research article
The comparative analysis of two molecular indices in random polyphenyl and spiro chains
Zahid Raza Juan LG Guirao Ghada Bassioni
2022, Volume 19, Issue 12: 12500-12517. doi: 10.3934/mbe.2022583
Abstract HTML PDF Cited (2) Viewed (1909)
Research article
Comparative study of vertex-edge based indices for semi-capped carbon nanotubes
Qingqun Huang Ali Ahmad Muhammad Kamran Jamil Ricai Luo Muhammad Azeem
2022, Volume 19, Issue 12: 12303-12315. doi: 10.3934/mbe.2022573
Abstract HTML PDF Cited (3) Viewed (2037)
Research article
Enumeration of the Gutman and Schultz indices in the random polygonal chains
Wanlin Zhu Minglei Fang Xianya Geng
2022, Volume 19, Issue 11: 10826-10845. doi: 10.3934/mbe.2022506
Abstract HTML PDF Cited (2) Viewed (1987)
Research article
Maximum degree and minimum degree spectral radii of some graph operations
Xiujun Zhang Ahmad Bilal M. Mobeen Munir Hafiz Mutte ur Rehman
2022, Volume 19, Issue 10: 10108-10121. doi: 10.3934/mbe.2022473
Abstract HTML PDF Cited (8) Viewed (2613)
Research article
Computation method of the Hosoya index of primitive coronoid systems
Mert Sinan Oz Roberto Cruz Juan Rada
2022, Volume 19, Issue 10: 9842-9852. doi: 10.3934/mbe.2022458
Abstract HTML PDF Cited (1) Viewed (2082)
Research article
Discrimination and chemical composition quantitative model of Raw Moutan Cortex and Moutan Cortex Carbon based on electronic nose and machine learning
Sujuan Zhou Huajian Lin Jiang Meng
2022, Volume 19, Issue 9: 9079-9097. doi: 10.3934/mbe.2022422
Abstract HTML PDF Cited (4) Viewed (2586)
Research article
Analytical and computational properties of the variable symmetric division deg index
J. A. Méndez-Bermúdez José M. Rodríguez José L. Sánchez José M. Sigarreta
2022, Volume 19, Issue 9: 8908-8922. doi: 10.3934/mbe.2022413
Abstract HTML PDF Viewed (2005)
Research article
On degree–based topological indices of random polyomino chains
Saylé C. Sigarreta Saylí M. Sigarreta Hugo Cruz-Suárez
2022, Volume 19, Issue 9: 8760-8773. doi: 10.3934/mbe.2022406
Abstract HTML PDF Cited (4) Viewed (2519)
Research article
$ k $-domination and total $ k $-domination numbers in catacondensed hexagonal systems
Sergio Bermudo Robinson A. Higuita Juan Rada
2022, Volume 19, Issue 7: 7138-7155. doi: 10.3934/mbe.2022337
Abstract HTML PDF Cited (3) Viewed (1799)
Research article
Extremal problems on exponential vertex-degree-based topological indices
José M. Sigarreta
2022, Volume 19, Issue 7: 6985-6995. doi: 10.3934/mbe.2022329
Abstract HTML PDF Cited (8) Viewed (2266)