Study of Hardness of Superhard Crystals by Topological Indices

Zhang, Xiu-Jun; Naeem, Muhammad; Baig, Abdul Qudair; Zahid, Manzoor Ahmad

doi:10.1155/2021/9604106

Cited by 35 publications

(25 citation statements)

References 28 publications

(23 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Since remdesivir R has eight types of edges, j = 41 and k = 44. We provided the Balaban temperature entropy as follows: The redefined third Zagreb temperature index is derived in the form of ReZG 3 (S) = .024382, Now using this result in Equation ( 8) and Table 1, the redefined third Zagreb temperature entropy is obtained as: Since the biological drugs, pharmaceutical, and chemistry are branches of science that have numerous applications which are studied under the degree based entropy [49,50]. The scientists are interested to analyze the graphical behavior of computed results to get the concrete outcomes which leads them to modify their research at advanced level see details [22,51].…”

Section: Molecular Graph Of Remdesivir R and Resultsmentioning

confidence: 99%

On entropy measures for molecular structure of remdesivir system and their applications

Caicai¹,

Muhammad

Siddiqui

et al. 2022

Int J of Quantum Chemistry

View full text Add to dashboard Cite

In medical sciences, the molecular structure is discussed under the consideration of the topological index, and related biological, pharmaceutical, medical and chemical properties of various drugs are examined by computing topological indices. Many scientific experiments are ongoing for the medication of COVID‐19 by using redeliver. In this paper, our objective is to calculate the degree‐based temperature indices and their respective temperature entropies for the molecular graph of remdesivir R. In this study, we derived some degree‐based temperature descriptors. Also, we computed temperature entropies of molecular structure by constructing the relation of degree‐based temperature descriptors with the help of specific information functions. Moreover, we analyzed and provided a graphical comparison of the calculated outcomes. These computed results maybe lead to the discovery of more effective drugs and modified vaccines for the overcome with COVID‐19.

show abstract

Section: Molecular Graph Of Remdesivir R and Resultsmentioning

confidence: 99%

On entropy measures for molecular structure of remdesivir system and their applications

Caicai¹,

Muhammad

Siddiqui

et al. 2022

Int J of Quantum Chemistry

View full text Add to dashboard Cite

show abstract

“…Being one of the most extensively used wide bandgap materials, SiC performs a vital role in power industries by setting new principles in power savings as recti ers or switches in the system for data centers, wind turbines, solar cells, and electric vehicles along with high radiation and temperature-tolerant electronic appliances. Several papers have been devoted to the study of silicon and carbon-based structures, for details, see [19][20][21][22][23]. Some silicon carbides variants such as…”

Section: Introductionmentioning

confidence: 99%

Chemical Applicability of Newly Introduced Topological Invariants and Their Relation with Polycyclic Compounds

Alghazzawi

Raza

Munir

et al. 2022

Journal of Mathematics

View full text Add to dashboard Cite

In quantitative structure-property and structure-activity relationships studies, several graph invariants, namely, topological indices have been defined and studied due to their numerous applications in computer networks, biotechnology, and nanochemistry. Topological indices are numeric parameters that describe the biological, physical, and chemical properties depending on the structure and topology of different chemical compounds. In this article, we inaugurated some degree-based novel indices, namely, geometric-harmonic GHI , harmonic-geometric HGI , neighborhood harmonic-geometric NHGI , and neighborhood geometric-harmonic NGHI indices and verified their chemical applicability. Furthermore, an attempt is made to calculate analytical closed formulas for different variants of silicon carbides and analyze the obtained results graphically.

show abstract

“…In the 1950s, Kullback and Leibler [17] developed this concept further. Zhang et al [18][19][20] provided the physical analysis of heat for the formation and entropy of ceria oxide.…”

Section: Introductionmentioning

confidence: 99%

On Curvilinear Regression Analysis via Newly Proposed Entropies for Some Benzene Models

et al. 2022

Self Cite

View full text Add to dashboard Cite

To avoid exorbitant and extensive laboratory experiments, QSPR analysis, based on topological descriptors, is a very constructive statistical approach for analyzing the numerous physical and chemical properties of compounds. Therefore, we presented some new entropy measures which are based on the sum of the neighborhood degree of the vertices. Firstly, we made the partition of the edges of benzene derivatives which are based on the degree sum of neighboring vertices and then computed the neighborhood version of entropies. Secondly, we made use of the software SPSS for developing a correlation between newly introduced entropies and the physicochemical properties of benzene derivatives. Our obtained results demonstrated that the critical temperature C T , critical pressure C P , and critical volume C V can be predicted through fifth geometric arithmetic entropy, second S K entropy, and fifth N D entropy, respectively. Other remaining physical characteristics include Gibb’s energy qℰ , log P , molar refractivity ℳℛ , and Henry’s law ℋℒ that can be predicted by using sixth N D entropy.

show abstract

Study of Hardness of Superhard Crystals by Topological Indices

Cited by 35 publications

References 28 publications

On entropy measures for molecular structure of remdesivir system and their applications

On entropy measures for molecular structure of remdesivir system and their applications

Chemical Applicability of Newly Introduced Topological Invariants and Their Relation with Polycyclic Compounds

On Curvilinear Regression Analysis via Newly Proposed Entropies for Some Benzene Models

Contact Info

Product

Resources

About