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Computation of Entr...
Computation of Entropy Measures for Metal-Organic Frameworks
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- Imran, Muhammad (författare)
- Department of Mathematical Sciences, United Arab Emirates University, Al Ain P. O. Box 15551, United Arab Emirates
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- Khan, Abdul Rauf (författare)
- Department of Mathematics, Faculty of Science, Ghazi University, Dera Ghazi Khan 32200, Pakistan
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- Husin, Mohamad Nazri (författare)
- Special Interest Group on Modelling, Data Analytics (SIGMDA) Faculty of Ocean Engineering Technology, Informatics Universiti Malaysia Terengganu, Kuala Nerus 21030, Terengganu, Malaysia
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- Tchier, Fairouz (författare)
- Mathematics Department, College of Science, King Saud University, P.O. Box 22452, Riyadh 11495, Saudi Arabia
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- Ghani, Muhammad Usman (författare)
- Institute of Mathematics, Khawaja Fareed University of Engineering & Information Technology, Abu Dhabi Road, Rahim Yar Khan 64200, Pakistan
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- Hussain, Shahid (författare)
- Luleå tekniska universitet,Energivetenskap
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Department of Mathematical Sciences, United Arab Emirates University, Al Ain P O. Box 15551, United Arab Emirates Department of Mathematics, Faculty of Science, Ghazi University, Dera Ghazi Khan 32200, Pakistan (creator_code:org_t)
- Mdpi, 2023
- 2023
- Engelska.
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Ingår i: Molecules. - : Mdpi. - 1431-5157 .- 1420-3049. ; 28:12
- Relaterad länk:
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https://doi.org/10.3...
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https://ltu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.3...
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Abstract
Ämnesord
Stäng
- Entropy is a thermodynamic function used in chemistry to determine the disorder and irregularities of molecules in a specific system or process. It does this by calculating the possible configurations for each molecule. It is applicable to numerous issues in biology, inorganic and organic chemistry, and other relevant fields. Metal-organic frameworks (MOFs) are a family of molecules that have piqued the curiosity of scientists in recent years. They are extensively researched due to their prospective applications and the increasing amount of information about them. Scientists are constantly discovering novel MOFs, which results in an increasing number of representations every year. Furthermore, new applications for MOFs continue to arise, illustrating the materials' adaptability. This article investigates the characterisation of the metal-organic framework of iron(III) tetra-p-tolyl porphyrin (FeTPyP) and CoBHT (CO) lattice. By constructing these structures with degree-based indices such as the K-Banhatti, redefined Zagreb, and the atom-bond sum connectivity indices, we also employ the information function to compute entropies.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Nyckelord
- FeTPyP
- topological indices
- CoBHT (CO)
- K-Banhatti entropies
- atom-bond sum connectivity entropy
- metal-organic framework
- calculations
- molecular graph
- redefined Zagreb entropies
- Energiteknik
- Energy Engineering
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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