scholarly journals Топологические аспекты триангулярных борных нанотрубок и альфа-борных нанотрубок

2020 ◽  
Author(s):  
P.S. Hemavathi ◽  
V. Lokesha ◽  
P.S. Reddy ◽  
R. Shruti
Keyword(s):  
Chemical Structure ◽  
Real Life ◽  
Chemical Properties ◽  
Topological Graph ◽  
Graph Invariants ◽  
Zagreb Index ◽  
Total Point ◽  
Physical And Chemical ◽  
And Chemical Properties ◽  
Modified Zagreb Index

Topological graph indices have been used in a lot of areas to study required properties of different objects such as atoms and molecules. Such indices have been described and studied by many mathematicians and chemists since most graphs are generated from molecules by replacing each atom with a vertex and each chemical bond with an edge. These indices are also topological graph invariants measuring several chemical, physical, biological, pharmacological, pharmaceutical, etc. properties of graphs corresponding to real life situations. The degree-based topological indices are used to correlate the physical and chemical properties of a molecule with its chemical structure. Boron nanotubular structures are high-interest materials due to the presence of multicenter bonds and have novel electronic properties. These materials have some important issues in nanodevice applications like mechanical and thermal stability. Therefore, they require theoretical studies on the other properties. In this paper, we compute the third Zagreb index, harmonic index, forgotten index, inverse sum index, modified Zagreb index and symmetric division deg index by applying subdivision and semi total point graph for boron triangular and boron-alpha nanotubes.

scholarly journals Topological Characterization of Nanosheet Covered by C3 and C6

Processes ◽  
2019 ◽  
Vol 7 (7) ◽  
pp. 462
Author(s):  
Sumiya Nasir ◽  
Fozia Bashir Farooq ◽  
Nazeran Idrees ◽  
Muhammad Jawwad Saif ◽  
Fatima Saeed
Keyword(s):  
Chemical Structure ◽  
Chemical Properties ◽  
Topological Indices ◽  
Connectivity Index ◽  
Zagreb Index ◽  
Topological Characterization ◽  
Physical And Chemical ◽  
Atom Bond ◽  
And Chemical Properties

A topological index of a graph is a single numeric quantity which relates the chemical structure with its underlying physical and chemical properties. Topological indices of a nanosheet can help us to understand the properties of the material better. This study deals with computation of degree-dependent topological indices like the Randic index, first Zagreb index, second Zagreb index, geometric arithmetic index, atom bond connectivity index, sum connectivity index and hyper Zagreb index of nanosheet covered by C3 and C6. Furthermore, M-polynomial of the nanosheet is also computed, which provides an alternate way to express the topological indices.

scholarly journals Topological Indices of Para-line Graphs of V-Phenylenic Nanostructures

2019 ◽  
Vol 17 (1) ◽  
pp. 260-266 ◽  
Author(s):  
Imran Nadeem ◽  
Hani Shaker ◽  
Muhammad Hussain ◽  
Asim Naseem
Keyword(s):  
Chemical Properties ◽  
Topological Indices ◽  
Structural Chemistry ◽  
Line Graphs ◽  
Physical And Chemical Properties ◽  
Graph Invariants ◽  
Molecular Graphs ◽  
Physical And Chemical ◽  
And Chemical Properties

Abstract The degree-based topological indices are numerical graph invariants which are used to correlate the physical and chemical properties of a molecule with its structure. Para-line graphs are used to represent the structures of molecules in another way and these representations are important in structural chemistry. In this article, we study certain well-known degree-based topological indices for the para-line graphs of V-Phenylenic 2D lattice, V-Phenylenic nanotube and nanotorus by using the symmetries of their molecular graphs.

scholarly journals Analysis of oxidation degree of graphite oxide and chemical structure of corresponding reduced graphite oxide by selecting different-sized original graphite

RSC Advances ◽  
2018 ◽  
Vol 8 (31) ◽  
pp. 17209-17217 ◽  
Author(s):  
Lu Shen ◽  
Lihua Zhang ◽  
Kui Wang ◽  
Lijing Miao ◽  
Qiaofeng Lan ◽  
...  
Keyword(s):  
Graphite Oxide ◽  
Chemical Structure ◽  
Chemical Properties ◽  
Thermal Reduction ◽  
Physical And Chemical Properties ◽  
Oxidation Degree ◽  
Reduced Graphite Oxide ◽  
Physical And Chemical ◽  
And Chemical Properties

The thermal reduction of GO is the most commonly used strategy for preparation of rGO, and the oxidation degree of GO would influence the chemical structure of prepared rGO, thereby affecting its physical and chemical properties.

scholarly journals Topological Aspects of Boron Nanotubes

2018 ◽  
Vol 2018 ◽  
pp. 1-11 ◽  
Author(s):  
Jia-Bao Liu ◽  
Hani Shaker ◽  
Imran Nadeem ◽  
Muhammad Hussain
Keyword(s):  
Thermal Stability ◽  
Electronic Properties ◽  
Chemical Structure ◽  
Chemical Properties ◽  
Topological Indices ◽  
The Other ◽  
Theoretical Studies ◽  
Physical And Chemical Properties ◽  
Physical And Chemical ◽  
And Chemical Properties

The degree-based topological indices are used to correlate the physical and chemical properties of a molecule with its chemical structure. Boron nanotubular structures are high-interest materials due to the presence of multicenter bonds and have novel electronic properties. These materials have some important issues in nanodevice applications like mechanical and thermal stability. Therefore, they require theoretical studies on the other properties. In this paper, we present certain degree-based topological indices such as ABC, the fourth ABC, GA, and the fifth GA indices for boron triangular and boron-α nanotubes.

scholarly journals The absorption spectra of the vapours of benzene and its homologues at different temperatures and pressures, and likewise of solutions of benzene

1908 ◽  
Vol 80 (537) ◽  
pp. 162-165 ◽  
Keyword(s):  
Absorption Spectra ◽  
Chemical Structure ◽  
Constant Pressure ◽  
Chemical Properties ◽  
Complete Agreement ◽  
Physical And Chemical Properties ◽  
Different Temperatures ◽  
Temperature And Pressure ◽  
Physical And Chemical ◽  
And Chemical Properties

The author having been engaged since the year 1877 in investigating and correlating the physical and chemical properties of aromatic substances in relation to their chemical structure or constitution, he has latterly found it desirable that several very definite compounds should be examined in a state of vapour, as well as in solution. The work of E. Pauer, W. Friederichs, and of L. Grebe is referred to in detail. The vapours of benzene and several of its derivatives have been examined (1) at different temperatures and constant pressure; and (2) at different pressures, the temperature being constant. The previous measurements of Pauer, Friederichs, and Grebe have been confirmed, and reconciled where they do not show complete agreement with each other. The records of temperature and pressure, and the shortening of the exposure of the photographic plates, constitute important differences between the work of the former investigators and that of the author.

scholarly journals Synthesis and structural features of 5-(4-(tert-butyl) phenyl)-4-((R)amino)-4H-1,2,4-triazole-3-thiols

2018 ◽  
pp. 60-65
Author(s):  
I. I. Aksyonova-Seliuk ◽  
O. I. Panasenko ◽  
E. G. Knysh
Keyword(s):  
Chemical Structure ◽  
Chemical Properties ◽  
Biologically Active ◽  
Physical And Chemical Properties ◽  
Tert Butyl ◽  
New Compounds ◽  
Physical And Chemical ◽  
Derivatives Of ◽  
Active Substances ◽  
And Chemical Properties

Chemistry of heterocyclic compounds is one of the most popular sector in organic chemistry. Scientists allocate among them a class of derivatives of 1,2,4-triazole. This class of compounds attracts attention his broad spectrum of biological activity. There are antiviral, anti-inflammatory, anti-tubercular, antimicrobial, antioxidant, actoprotective, anti-cancer and other activities. The derivatives of 1,2,4-triazole have one more important advantage. It is low toxicity. This properties do this class of derivatives promising for researches their chemical structure and biological activity and purposeful search of biologically active substances. The purpose of the work is synthesis of 5-(4-(tert-butyl)phenyl)-4-((R)amino)-4H-1,2,4-triazoles-3-thiols from appropriate ylidene derivatives of 4-amino-5-(4 (tert-butyl)phenyl)-4H-1,2,4-triazoles-3-thiol and research of their physical and chemical properties. The objects of research were 10 new compounds, derivatives of 4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazoles-3-thiol. These compounds are the crystal substances which are odorless, insoluble in water and soluble in organic solvents. Investigation of the physical and chemical properties of this compounds was carried out according to the methods listed in the State Pharmacopoeia of Ukraine. The melting temperature of synthesized compounds was determined by device OptiMelt Stanford Research Systems MPA100. The structure of the compound was confirmed by 1H-NMR spectroscopy (Mercury 400) and gas chromatography-mass spectrometry (Agilent 1260 Infinity HPLC). 10 new compounds, derivatives of 4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazoles-3-thiol, were synthesized in a study. The chemical structure of the new compounds was confirmed by modern instrumental methods of analysis. Results of the done work can be use in the future search of biologically active substances.

ChemInform Abstract: Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

ChemInform ◽  
2011 ◽  
Vol 42 (20) ◽  
pp. no-no ◽  
Author(s):  
Alan R. Katritzky ◽  
Minati Kuanar ◽  
Svetoslav Slavov ◽  
C. Dennis Hall ◽  
Mati Karelson ◽  
...  
Keyword(s):  
Chemical Structure ◽  
Chemical Properties ◽  
Physical And Chemical Properties ◽  
Quantitative Correlation ◽  
Physical And Chemical ◽  
And Chemical Properties

Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

2010 ◽  
Vol 110 (10) ◽  
pp. 5714-5789 ◽  
Author(s):  
Alan R. Katritzky ◽  
Minati Kuanar ◽  
Svetoslav Slavov ◽  
C. Dennis Hall ◽  
Mati Karelson ◽  
...  
Keyword(s):  
Chemical Structure ◽  
Chemical Properties ◽  
Physical And Chemical Properties ◽  
Quantitative Correlation ◽  
Physical And Chemical ◽  
And Chemical Properties

scholarly journals Biomass and biofuels

2018 ◽  
Vol 189 ◽  
pp. 00006
Author(s):  
Marco Fiala ◽  
Luca Nonini
Keyword(s):  
Chemical Structure ◽  
Fossil Fuels ◽  
Electric Energy ◽  
Chemical Properties ◽  
Physical And Chemical Properties ◽  
Specific Production ◽  
Structure Of Molecules ◽  
Energy Processes ◽  
Physical And Chemical ◽  
And Chemical Properties

Biomass includes all materials that contain organic carbon bound in the chemical structure of molecules, resulting from the chlorophylline photosynthesis, carried out by autotrophies organisms. Lots of biomass from agricultural, agri-food and forestry sectors can be used for energy purposes, representing an essential renewable energy source that, if appropriately managed, can help to reduce the negative environmental impacts arising from the exploitation of fossil fuels. The possibility of using biomass for a specific production process mainly depends on its physical and chemical properties. This paper is organized in two sections: in the first one, the most important biomass used worldwide for energy generation (thermal energy and/or electric energy), as well as its properties, are described. In the second one, the main biomass-to-energy processes (thermochemical and biochemical conversions) are shortly explained. Finally, some emerging techniques (such as bio-methane and bio-hydrogen production) are discussed in more detail.

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