Science : Crystallography

Advances in Physical Organic Chemistry provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry. The field is a rapidly developing one, with results and methodologies finding application from biology to solid state physics. more...

Price: $215.00

The bond valence model is a recently developed model of the chemical bond in inorganic chemistry that complements the bond model widely used in organic chemistry. It is simple, quantitative, intuitive, and predictive - no more than a pocket calculator is needed to calculate it. This book focuses on the theory that underlies the model, and shows how it has been used in physics, materials science, chemistry, mineralogy, soil science, and molecular biology. - ;The bond valence model is an evolution of Pauling's electrostatic valence principle first enunciated in 1929. Recent improvements in crystal structure determination have allowed the model to become more quantitative. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, quantitative and predictive, and requires only a pocket calculator. It can be used for analysing crystal structures and the conceptual modelling of local as well as extended. structures. This is the first book to explore the theoretical basis of the model and to show how it can be applied to synthetic and solution chemistry. In analysing the chemistry of solids, the book emphasizes the separate roles of the constraints of chemistry and the constraints of 3-dimensional. space. It reviews many of the applications of the model in physics, materials science, chemistry, mineralogy, soil science, surface science and molecular biology. The final chapter describes how the bond valence model relates to, and represents a simplification of, other models of inorganic chemical bonding. - more...

Price: $108.00

The book presents a variety of methods for computer simulations of crystal defects in the form of "numerical recipes", complete with computer codes and analysis tools. By working through numerous case studies and problems, this book provides a useful starter kit for further method development in the computational materials sciences. - ;This book presents a broad collection of models and computational methods - from atomistic to continuum - applied to crystal dislocations. Its purpose is to help students and researchers in computational materials sciences to acquire practical knowledge of relevant simulation methods. Because their behavior spans multiple length and time scales, crystal dislocations present a common ground for an in-depth discussion of a variety of computational approaches, including their. relative strengths, weaknesses and inter-connections. The details of the covered methods are presented in the form of "numerical recipes" and illustrated by case studies. A suite of simulation codes and data files is made available on the book's website to help the reader "to learn-by-doing" through. solving the exercise problems offered in the book. - more...

Price: $99.00

This book is a mixture of textbook and tutorial. As Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been addressed by textbooks so far. In each of the chapters the book gives examples, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements. - ;Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of. atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives. refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements. - more...

Price: $140.00

This handbook seeks to facilitate the selection, design and operation of large-scale industrial crystallizers that process crystals with the proper size distribution, shape and purity sought. This second edition offers results on direct-contact cooling crystallization. more...

Price: $229.95