scholarly journals Irregularity Molecular Descriptors of Hourglass, Jagged-Rectangle, and Triangular Benzenoid Systems

Processes ◽  
2019 ◽  
Vol 7 (7) ◽  
pp. 413 ◽  
Author(s):  
Hussain ◽  
Rafique ◽  
Munir ◽  
Athar ◽  
Chaudhary ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Descriptors ◽  
Benzenoid System ◽  
Key Features ◽  
Insight Into ◽  
Degree Of Irregularity

Determining the degree of irregularity of a certain molecular structure or a network has been a key source of interest for molecular topologists, but it is also important as it provides an insight into the key features used to guess properties of the structures. In this article, we are interested in formulating closed forms of irregularity measures of some popular benzenoid systems, such as hourglass H (m, n), jagged-rectangular J (m, n), and triangular benzenoid T (m, n) systems. We also compared our results graphically and concluded which benzenoid system among the above listed is more irregular than the others.

Analysis of irregularity measures of zigzag, rhombic, and honeycomb benzenoid systems

Open Physics ◽  
2020 ◽  
Vol 18 (1) ◽  
pp. 1146-1153
Author(s):  
Zafar Hussain ◽  
Yujun Yang ◽  
Mobeen Munir ◽  
Zahid Hussain ◽  
Muhammad Athar ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Topology ◽  
Benzenoid System ◽  
Key Features ◽  
Degree Of Irregularity

Abstract Molecular topology is a key to determine the physiochemical aspects of the molecular structure. To determine the degree of irregularity of a certain molecular structure or a network has been a key source of interest for the molecular topologists as it provides an insight of the key features that are used to guess the properties of the structures. In this article, we are interested in formulating closed forms of irregularity measures of some popular benzenoid systems, namely, zigzag, rhombic, and honeycomb benzenoid systems. We also compared our results graphically and concluded that benzenoid system among above is more asymmetric than the others.

Probing pyrolysis chemistry of 1-heptene pyrolysis with insight into fuel molecular structure effects

2021 ◽  
Vol 227 ◽  
pp. 79-94
Author(s):  
Chuangchuang Cao ◽  
Wei Li ◽  
Qiang Xu ◽  
Beibei Feng ◽  
Zhandong Wang ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Insight Into

scholarly journals Linking electronic and molecular structure: insight into aqueous chloride solvation

2013 ◽  
Vol 15 (31) ◽  
pp. 13169 ◽  
Author(s):  
Ling Ge ◽  
Leonardo Bernasconi ◽  
Patricia Hunt
Keyword(s):  
Molecular Structure ◽  
Aqueous Chloride ◽  
Insight Into

scholarly journals Talent Value Creation during Digital Transformation: A Inductive Model of HR Reengineering

2021 ◽  
Vol 4 (4) ◽  
Author(s):  
Hsiu-Hua Hu ◽  
Yaozong Zhu
Keyword(s):  
Qualitative Study ◽  
Value Creation ◽  
Talent Development ◽  
Digital Transformation ◽  
Four Dimensions ◽  
Research Questions ◽  
Key Features ◽  
The Impact ◽  
A Company ◽  
Insight Into

In this study, we are to explore (1) features of HR reengineering, (2) the impact of business digitalization strategies on digital transformation and HR engineering, (3) the impact of business digitalization strategies and HR reengineering on talent value creation, and present the results of a qualitative study that offers insight into 42 “thought units”, which were “categorizing” into four dimensions corresponding to our research questions: (1) plan, (2) do, (3) check, and (4) action. The “check” dimension corresponds to the four key features of HR reengineering related to business digitalization strategy, and how to create talent value when a company successfully implements business-led digital transformation, HR reengineering, and talent value creation, including (1) talent planning, (2) talent introduction, (3) talent adjustment, and (4) talent development.

AN ANALYSIS OF THE THZ FREQUENCY SIGNATURES IN THE CELLULAR COMPONENTS OF BIOLOGICAL AGENTS

2007 ◽  
Vol 17 (02) ◽  
pp. 225-237 ◽  
Author(s):  
ALEXEI BYKHOVSKI ◽  
TATIANA GLOBUS ◽  
TATYANA KHROMOVA ◽  
BORIS GELMONT ◽  
DWIGHT WOOLARD
Keyword(s):  
Molecular Structure ◽  
Structural Similarity ◽  
Md Simulations ◽  
Detection Capability ◽  
Dna Structures ◽  
E Coli ◽  
Cellular Components ◽  
First Time ◽  
Insight Into ◽  
Specific Contribution

The development of an effective biological (bio) agent detection capability based upon terahertz (THz) frequency absorption spectra will require insight into how the constituent cellular components contribute to the overall THz signature. In this work, the specific contribution of ribonucleic acid (RNA) to THz spectra is analyzed in detail. Previously, it has only been possible to simulate partial fragments of the RNA (or DNA) structures due to the excessive computational demands. For the first time, the molecular structure of the entire transfer RNA (tRNA) molecule of E. coli was simulated and the associated THz signature was derived theoretically. The tRNA that binds amino acid tyrosine (tRNAtyr) was studied. Here, the molecular structure was optimized using the potential energy minimization and molecular dynamical (MD) simulations. Solvation effects (water molecules) were also included explicitly in the MD simulations. To verify that realistic molecular signatures were simulated, a parallel experimental study of tRNAs of E. coli was also conducted. Two very similar molecules, valine and tyrosine tRNA were investigated experimentally. Samples were prepared in the form of water solutions with the concentrations in the range 0.01-1 mg/ml. A strong correlation of the measured THz signatures associated with valine tRNA and tyrosine tRNA was observed. These findings are consistent with the structural similarity of the two tRNAs. The calculated THz signature of the tyrosine tRNA of E. coli reproduces many features of our measured spectra, and, therefore, provides valuable new insights into bio-agent detection.

New Insight into the Role of the Interfacial Molecular Structure on Growth and Scaling in Organic Heterostructures

2010 ◽  
Vol 114 (32) ◽  
pp. 13752-13758 ◽  
Author(s):  
Yi Zhang ◽  
Esther Barrena ◽  
Xuena Zhang ◽  
Ayse Turak ◽  
Felix Maye ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Insight Into
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