Novel results on entropy-based measures of fullerenes

Ghorbani, Modjtaba; Rajabi-Parsa, Mina; Majidi, Roya; Mirzaie, Rasol Abdullah

doi:10.1080/1536383x.2020.1816973

Cited by 3 publications

(1 citation statement)

References 36 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For example, Basak et al introduce bond information content similar to the SIC value [5,43]. Different entropy measures relating to the topological distances in the fullerene [61][62][63][64] and dendrimer graphs [65] also demonstrate usefulness.…”

Section: Figurementioning

confidence: 99%

Information Entropy in Chemistry: An Overview

Sabirov

Shepelevich

2021

Entropy

View full text Add to dashboard Cite

Basic applications of the information entropy concept to chemical objects are reviewed. These applications deal with quantifying chemical and electronic structures of molecules, signal processing, structural studies on crystals, and molecular ensembles. Recent advances in the mentioned areas make information entropy a central concept in interdisciplinary studies on digitalizing chemical reactions, chemico-information synthesis, crystal engineering, as well as digitally rethinking basic notions of structural chemistry in terms of informatics.

show abstract

Section: Figurementioning

confidence: 99%

Information Entropy in Chemistry: An Overview

Sabirov

Shepelevich

2021

Entropy

View full text Add to dashboard Cite

show abstract

Informatics of chemical reactions: information entropy as the descriptor of changes in molecular complexity

Sabirov,

Tukhbatullina,

Zimina

et al. 2024

Russ Chem Bull

View full text Add to dashboard Cite

Information Entropy of Regular Dendrimer Aggregates and Irregular Intermediate Structures

Sabirov

Tukhbatullina

Shepelevich

2021

Liquids

View full text Add to dashboard Cite

Dendrimer molecules and aggregates are chemical structures with regular branching that underlies their physicochemical properties. Regular dendrimers have been studied both theoretically and experimentally, but the irregular intermediate structures between the dendrimers of neighboring generations have not. In the present work, dendrimer aggregates, both regular and intermediate, are investigated in terms of the information entropy approach. As found, the information entropy of the regular dendrimer asymptotically increases with the generation number; herewith, its maximal value equals 2. The intermediate structures have been studied for the growing dendrimer G1 → G2 → G3 → G4 with the tricoordinated building block. The plot of the information entropy of the growing dendrimer on the size has the frontier consisting of the lowest values that correspond to the regular and irregular structures described with the symmetrical graphs. Other intermediate structures have information entropies higher than the regular dendrimers. Thus, to move the system from one informationally stable state to another, its information capacity must be temporarily increased.

show abstract

Novel results on entropy-based measures of fullerenes

Cited by 3 publications

References 36 publications

Information Entropy in Chemistry: An Overview

Information Entropy in Chemistry: An Overview

Informatics of chemical reactions: information entropy as the descriptor of changes in molecular complexity

Information Entropy of Regular Dendrimer Aggregates and Irregular Intermediate Structures

Contact Info

Product

Resources

About