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Arockiaraj, Micheal, Paul, Daniel, Klavžar, Sandi, Clement, Joseph, Tigga, Sushil, Balasubramanian, Krishnan (2022) Relativistic topological and spectral characteristics of zeolite SAS structures. Journal of Molecular Structure, 1270. Elsevier BV. 133854 doi:10.1016/j.molstruc.2022.133854

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Reference TypeJournal (article/letter/editorial)
TitleRelativistic topological and spectral characteristics of zeolite SAS structures
JournalJournal of Molecular Structure
AuthorsArockiaraj, MichealAuthor
Paul, DanielAuthor
Klavžar, SandiAuthor
Clement, JosephAuthor
Tigga, SushilAuthor
Balasubramanian, KrishnanAuthor
Year2022 (December)Volume1270
PublisherElsevier BV
DOIdoi:10.1016/j.molstruc.2022.133854Search in ResearchGate
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Mindat Ref. ID16615254Long-form Identifiermindat:1:5:16615254:8
GUID0
Full ReferenceArockiaraj, Micheal, Paul, Daniel, Klavžar, Sandi, Clement, Joseph, Tigga, Sushil, Balasubramanian, Krishnan (2022) Relativistic topological and spectral characteristics of zeolite SAS structures. Journal of Molecular Structure, 1270. Elsevier BV. 133854 doi:10.1016/j.molstruc.2022.133854
Plain TextArockiaraj, Micheal, Paul, Daniel, Klavžar, Sandi, Clement, Joseph, Tigga, Sushil, Balasubramanian, Krishnan (2022) Relativistic topological and spectral characteristics of zeolite SAS structures. Journal of Molecular Structure, 1270. Elsevier BV. 133854 doi:10.1016/j.molstruc.2022.133854
In(2022) Journal of Molecular Structure Vol. 1270. Elsevier BV

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Arockiaraj, Micheal, Paul, Daniel, Klavžar, Sandi, Clement, Joseph, Tigga, Sushil, Balasubramanian, Krishnan (2022) Relativistic distance based and bond additive topological descriptors of zeolite RHO materials. Journal of Molecular Structure, 1250. 131798 doi:10.1016/j.molstruc.2021.131798
Jacob, Kavin, Clement, Joseph, Arockiaraj, Micheal, Paul, Daniel, Balasubramanian, Krishnan (2023) Topological characterization and entropy measures of tetragonal zeolite merlinoites. Journal of Molecular Structure, 1277. Elsevier BV. 134786 doi:10.1016/j.molstruc.2022.134786
Paul, Daniel, Arockiaraj, Micheal, Tigga, Sushil, Balasubramanian, Krishnan (2022) Zeolite AST: Relativistic degree and distance based topological descriptors. Computational and Theoretical Chemistry, 1218. 113933 doi:10.1016/j.comptc.2022.113933
Arockiaraj, Micheal, Clement, Joseph, Paul, Daniel, Balasubramanian, Krishnan (2021) Quantitative structural descriptors of sodalite materials. Journal of Molecular Structure, 1223. 128766 doi:10.1016/j.molstruc.2020.128766
Arockiaraj, Micheal, Clement, Joseph, Paul, Daniel, Balasubramanian, Krishnan (2021) Relativistic distance-based topological descriptors of Linde type A zeolites and their doped structures with very heavy elements. Molecular Physics, 119 (3) doi:10.1080/00268976.2020.1798529
Arockiaraj, Micheal, Kavitha, S. Ruth Julie, Mushtaq, Shagufa, Balasubramanian, Krishnan (2020) Relativistic topological molecular descriptors of metal trihalides. Journal of Molecular Structure, 1217. 128368 doi:10.1016/j.molstruc.2020.128368
Rahul, M.P., Clement, Joseph, Singh Junias, J., Arockiaraj, Micheal, Balasubramanian, Krishnan (2022) Degree-based entropies of graphene, graphyne and graphdiyne using Shannon’s approach. Journal of Molecular Structure, 1260. 132797 doi:10.1016/j.molstruc.2022.132797
Arockiaraj, Micheal, Jency, Joseph, Maaran, Aravindan, Abraham, Jessie, Balasubramanian, Krishnan (2024) Refined degree bond partitions, topological indices, graph entropies and machine-generated boron NMR spectral patterns of borophene nanoribbons. Journal of Molecular Structure, 1295. 136524 doi:10.1016/j.molstruc.2023.136524
Arockiaraj, Micheal, Fiona, J. Celin, Balasubramanian, Krishnan (2024) Degree based hybrid topological indices and entropies of hydrogen bonded benzo-trisimidazole frameworks. Journal of Molecular Structure, 1314. 138740 doi:10.1016/j.molstruc.2024.138740
Daniel, Paul, Arockiaraj, Micheal, Peter, Pancras, Clement, Joseph (2025) Structural analysis of bond information entropy and HOMO-LUMO gap in CLO and KFI zeolites. Journal of Molecular Structure, 1328. doi:10.1016/j.molstruc.2024.141276
Peter, Pancras, Clement, Joseph, Arockiaraj, Micheal, Jacob, Kavin (2025) Predictive modeling of molecular interaction energies using topological and spectral entropies of zeolite AWW. Frontiers in Chemistry, 13. doi:10.3389/fchem.2025.1543588
 
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