scholarly journals Information Entropy in Chemistry: An Overview

Entropy ◽  
2021 ◽  
Vol 23 (10) ◽  
pp. 1240
Author(s):  
Denis Sh. Sabirov ◽  
Igor S. Shepelevich
Keyword(s):  
Signal Processing ◽  
Chemical Reactions ◽  
Information Entropy ◽  
Crystal Engineering ◽  
Electronic Structures ◽  
Interdisciplinary Studies ◽  
Structural Chemistry ◽  
Structural Studies ◽  
Central Concept ◽  
Information Synthesis

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.

The Simplest Patterns of Interpenetrated Honeycomb Layers – Counter examples to the Minimal Transitivity Principle?

2018 ◽  
Author(s):  
Igor Baburin
Keyword(s):  
Crystal Engineering ◽  
Structural Chemistry ◽  
Broad Context ◽  
Rigorous Derivation ◽  
New Approach

The paper calls attention to the most symmetric interpenetration patterns of honeycomb layers. To the best of my knowledge, such patterns remained unknown so far. In my contribution a rigorous derivation of such patterns is given that makes use of a new approach to interpenetrating nets. The results are presented in a broad context of structural chemistry and crystal engineering.

Concepts of Care in Teacher Education

2019 ◽  
Author(s):  
Nel Noddings
Keyword(s):  
Teacher Education ◽  
Critical Thinking ◽  
Interdisciplinary Studies ◽  
The Other ◽  
Central Concept ◽  
Care Theory ◽  
One Year

Care theory emphasizes relation, attending to the expressed needs of the other in human encounters. It does not ignore virtue and justice, but its central concept is relation. In education, this means that the expressed needs of students must be considered—not always satisfied, but always included in the teacher’s deliberations. Choice, continuity, and connection are central concepts in the application of care theory to education. In consonance with its emphasis on attention to their expressed needs, care theory recommends listening to students and engaging in discussion to learn about their interests and help them to make intelligent choices. It also suggests that we give more attention to continuity—that is, to the possibility of keeping students and teachers together for more than one year. Similarly, continuity and connection may be increased by encouraging interdisciplinary studies. Finally, care theory emphasizes the need for critical thinking and civility—to educate, not fight, those who may be morally mistaken.

Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea–butanedioic and urea–E-butanedioic acid (2:1) cocrystals

1996 ◽  
Vol 52 (6) ◽  
pp. 1048-1056 ◽  
Author(s):  
V. Videnova-Adrabińska
Keyword(s):  
Hydrogen Bond ◽  
Crystal Engineering ◽  
Three Dimensional ◽  
Structural Studies ◽  
Hydrogen Bond Interaction ◽  
Space Group ◽  
One Dimensional ◽  
Hydrogen Bond Interactions ◽  
Symmetry Constraints ◽  
Butanedioic Acid

The crystal structures of two urea–dicarboxylic acid (2:1) cocrystals have been determined. Urea–butanedioic acid forms monoclinic crystals, space group P21/c (No. 14), with a = 5.637 (4), b = 8.243 (3), c = 12.258 (3) Å, β = 96.80 (5)°, V = 565.6 (8) Å3, Z = 2. Urea–E-butenedioic acid also forms monoclinic crystals, space group P21/c (No. 14), with a = 5.540 (1), b = 8.227 (1), c = 12.426 (3) Å, β = 97.22 (3)°, V = 561.9 (2) Å3, Z = 2. The geometry and the conformation of both molecular aggregates and the three-dimensional networks formed are very similar. The two strongest hydrogen-bond interactions are constrained in the formation of the heteroaggregates, the third hydrogen-bond interaction is used to self-associate the heteroaggregates in one-dimensional chains, whereas the next three weaker hydrogen bonds interconnect the chains into well organized three-dimensional networks.

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