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Their Correlation With Chemical Structure, Their Numerical Estimation And: A Comprehensive Guide

Dave Simmons

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Published in Properties Of Polymers: Their Correlation With Chemical Structure Their Numerical Estimation And Prediction From Additive Group Contributions

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The correlation between chemical structure and properties is a fundamental concept in chemistry. It is used to predict the properties of new compounds, to design new materials with specific properties, and to understand the behavior of chemical systems. In this article, we will provide a comprehensive overview of the correlation between chemical structure and properties, including numerical estimation and applications.

Properties of Polymers: Their Correlation with Chemical Structure; their Numerical Estimation and Prediction from Additive Group Contributions

by D. W. van Krevelen

5 out of 5

Language	:	English
File size	:	33684 KB
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Print length	:	1764 pages

Chemical Structure

Chemical structure refers to the arrangement of atoms and bonds in a molecule. It can be represented by a variety of methods, including Lewis structures, molecular orbital diagrams, and 3D molecular models. Chemical structure is a key factor in determining the properties of a compound.

Properties of Compounds

The properties of compounds are determined by their chemical structure. These properties include physical properties, such as melting point, boiling point, and density, and chemical properties, such as reactivity and stability. The correlation between chemical structure and properties can be used to predict the properties of new compounds and to design new materials with specific properties.

Numerical Estimation of Properties

Numerical estimation of properties is a technique that can be used to predict the properties of compounds based on their chemical structure. A variety of methods can be used for numerical estimation, including group contribution methods, molecular mechanics, and quantum chemistry. Numerical estimation can be used to predict a wide range of properties, including physical properties, chemical properties, and biological activity.

Applications

The correlation between chemical structure and properties has a wide range of applications in chemistry. Some of the most important applications include:

Prediction of the properties of new compounds
Design of new materials with specific properties
Understanding the behavior of chemical systems
Development of new drugs and therapies

The correlation between chemical structure and properties is a fundamental concept in chemistry. It is used to predict the properties of new compounds, to design new materials with specific properties, and to understand the behavior of chemical systems. Numerical estimation of properties is a technique that can be used to predict the properties of compounds based on their chemical structure. The correlation between chemical structure and properties has a wide range of applications in chemistry.

Properties of Polymers: Their Correlation with Chemical Structure; their Numerical Estimation and Prediction from Additive Group Contributions

by D. W. van Krevelen

5 out of 5