Kategoria BISAC: Science >> Physics - Crystallography

With the most comprehensive and up-to-date overview of structure-based drug discovery and using experimental and computational approaches, this book covers principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development.

- Presents the benefits, limitations, and potentiality of novel techniques in the field, like complex crystallization, X-ray diffraction, NMR, mass spectrometry, and computational chemistry
- Assesses macromolecular structures with experimental, analytical, and therapeutic approaches to reveal a...

High-resolution spectroscopic data of paramagnetic diatomic molecules are presented in data sheets. All relevant properties of a molecule and the corresponding parameters can be found concentrated under its sum formula: rotational and related constants, the dipole moments, barriers to internal rotation, hyperfine coupling parameters, or Zeeman data.

Chemists are used to the operational definition of symmetry, which crystallographers introduced long before the advent of quantum mechanics. The ball-and-stick models of molecules naturally exhibit the symmetrical properties of macroscopic objects. However, the practitioner of quantum chemistry and molecular modeling is not concerned with balls and sticks, but with subatomic particles: nuclei and electrons.

This textbook introduces the subtle metaphors which relate our macroscopic understanding of symmetry to the molecular world. It gradually explains how bodily rotations and...

Superplasticity and grain boundaries in ultrafine-grained materials discusses a number of problems associated with grain boundaries in metallic polycrystalline materials. The role of grain boundaries in processes such as grain boundary diffusion,...

The properties of many crystalline materials depend on the individual properties of the crystallites and on their arrangements characterising the polycrystalline state. Since preferred orientations of the grains are very common phenomena, crystallographic texture plays a very important role in determining the mechanical and physical properties of materials. The texture may evolve during casting, processing, deformation, welding and heat treatment.

Texture in structural materials have attracted significant interest over the years because of their special role in tailoring the...

The present volume contains data on properties of semiconducting IIa-VI Compounds with Mg and Sr. These properties refer to the structure of the material, its thermal and thermodynamic behavious as well as its lattice.

All chapters are organized along the respective material system in question. The data have been assessed and proved by an expert in this field and are presented in a consistent way to allow for comparison.

The common perception is that nanoscience is something entirely new, that it sprung forth whole and fully formed like some mythological deity. But the truth is that like all things scientific, nanoscience is the natural result of the long evolution of scientific inquiry. Following a historical trail back to the middle of the 19th century, nanoscience is the inborn property of colloid and interface science. What s important today is for us to recognize that nanoparticles are small colloidal objects. It should also be appreciated that over the past decades, a number of novel nanostructures...

This book covers the advances in the studies of hydrogen-bonding-driven supramolecular systems made over the past decade. It is divided into four parts, with the first introducing the basics of hydrogen bonding and important hydrogen bonding patterns in solution as well as in the solid state. The second part covers molecular recognition and supramolecular structures driven by hydrogen bonding. The third part introduces the formation of hollow and giant macrocycles directed by hydrogen bonding, while the last part summarizes hydrogen bonded supramolecular polymers.

This book is...

The book is focused on constitutive description of mechanical behaviour of engineering materials: both conventional (polycrystalline homogeneous isotropic or anisotropic metallic materials) and non-conventional (heterogeneous multicomponent anisotropic composite materials). Effective material properties at the macro-level depend on both the material microstructure (originally isotropic or anisotropic) as well as dissipative phenomena occurred on fabrication and consecutive loading phase (hardening) resulting in irreversible microstructure changes (acquired anisotropy). The material...

Zeolites and zeolite-like materials became important because of their ion exchange capacities and their outstanding catalytic properties. Millions of tons of zeolites have been produced in the past years for the oil refining industry alone and, in even greater...