Structure-properties paradigm

Materials science has emerged as one of the central pillars of the modern physical sciences and engineering, and is now even beginning to claim a role in the biological sciences. A central tenet in the analysis of materials is the structure-property paradigm, which proposes a direct connection between the geometric structures within a material and its properties. 

In accordance with Libera and Egerton [94], TEM is a powerful method with which to provide information within the synthesis-structure-property paradigm of materials science and engineering. However, for soft materials, image contrast generation and beam damage can be a challenge. 

Chapter 1 of the present volume provides the basic concepts related to the properties and characterization of the centres known as shallow dopants, the paradigm of the H-like centres. This is followed by a short history of semiconductors, which is intimately connected with these centres, and by a section outlining their electrical and spectroscopic activities. Because of the diversity in the notations, I have included in this chapter a short section on the different notations used to denote the centres and their optical transitions. An overview of the origin of the presence of H-related centres in crystals and guidelines on their structural properties is given in Chap. 2. To define the conditions under which the spectroscopic properties of impurities can be studied, Chap. 3 presents a summary of the bulk optical properties of semiconductors crystals. Chapter 4 describes the spectroscopic techniques and methods used to study the optical absorption of impurity and defect centres and the methods used to produce controlled perturbations of this absorption, which provide information on the structure of the impurity centres, and eventually on some properties of the host crystal. Chapter 5 is a presentation of the effective-mass theory of impurity centres, which is the basis for a quantitative interpretation... 

Wever, D. A. Z., Picchioni, F. and Broekhuis, A. A. (2011). Polymers for enhanced oil recovery A paradigm for structure-property relationship in aqueous solution. Progress in Polymer Science, 36,1558-1628. 

Similarity has played an important role in the discussion of structure-property relationships, particularly in discussions of biological activity of chemicals. The early recognition of the role of molecular similarity in structure-activity studies may be traced to Email Fischer s lock and key model for the interaction of proteins and drugs. Much of the works in QSAR studies rests on the paradigm that similar structures have similar properties. In recent years, attempts have been made to express the degree of mutual similarity quantitatively. One of the ways to describe similarity is to express it by a series of 2-dimensional and 3-dimensional molecular descriptors as follows ... 

An extensive chapter on crystalline polymers set the paradigm for structure-property relations in this class of materials. A thorough understanding of the structure at all levels was stressed. The local molecular conformation, the unit cell, the microcrystalline structure, and the overall morphology, including both crystalline and amorphous domains, were included. 

This book may reveal some yet vmexplored connections between Statistics and Algebra, as work on QSAR by Ihe original paradigm of relation molecular structure-property/activity and Ihe basic Physics at sub-atomic level, namely the involvement of bondons (also introduced by him in previous volumes of this Quantum Nanochemistry set) in chemical observables, such as reactivity/stability or biological activity, with spatial complementarity being an important premise in the effector-... 

The quantitative treatment of the electron-transfer paradigm in Scheme l by FERET (equation (104)) is restricted to the comparative study of a series of structurally related donors (or acceptors). Under these conditions, the reactivity differences due to electronic properties inherent to the donor (or acceptor) are the dominant factors in the charge-transfer assessment, and any differences due to steric effects are considered minor. Such a situation is sufficient to demonstrate the viability of the electron-transfer paradigm to a specific type of donor acceptor behavior (e.g. aromatic substitution, olefin addition, etc.). However, a more general consideration requires that any steric effect be directly addressed. 

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