Quantitative structure–property relationships on direct photolysis of PCDD/Fson surfaces of fly ash

2004 ◽  
Vol 15 (4) ◽  
pp. 265-277 ◽  
Author(s):  
J. Niu ◽  
J. Chen ◽  
G. Yu ◽  
K.-W. Schramm
Keyword(s):  
Fly Ash ◽  
Quantitative Structure ◽  
Structure Property ◽  
Direct Photolysis ◽  
Structure Property Relationships ◽  
Quantitative Structure Property Relationships

Quantitative structure–property relationships (QSPRs) on direct photolysis of PCDDs

Chemosphere ◽  
2001 ◽  
Vol 45 (2) ◽  
pp. 151-159 ◽  
Author(s):  
Jingwen Chen ◽  
Xie Quan ◽  
K.-W Schramm ◽  
Antonius Kettrup ◽  
Fenglin Yang
Keyword(s):  
Quantitative Structure ◽  
Structure Property ◽  
Direct Photolysis ◽  
Structure Property Relationships ◽  
Quantitative Structure Property Relationships

Characteristic study of irregularity measures of some nanotubes

2019 ◽  
Vol 97 (10) ◽  
pp. 1125-1132 ◽  
Author(s):  
Zahid Iqbal ◽  
Adnan Aslam ◽  
Muhammad Ishaq ◽  
Muhammad Aamir
Keyword(s):  
Quantitative Structure ◽  
Structure Property ◽  
Know How ◽  
Molecular Graphs ◽  
Irregularity Index ◽  
Structure Property Relationships ◽  
Boiling Points ◽  
Quantitative Structure Property Relationships ◽  
Quantitative Structure Activity Relationships ◽  
Vertex Degrees

In many applications and problems in material engineering and chemistry, it is valuable to know how irregular a given molecular structure is. Furthermore, measures of the irregularity of underlying molecular graphs could be helpful for quantitative structure property relationships and quantitative structure-activity relationships studies, and for determining and expressing chemical and physical properties, such as toxicity, resistance, and melting and boiling points. Here we explore the following three irregularity measures: the irregularity index by Albertson, the total irregularity, and the variance of vertex degrees. Using graph structural analysis and derivation, we compute the above-mentioned irregularity measures of several molecular graphs of nanotubes.

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