The authors discuss the latest simulation techniques of molecular dynamics and the Monte Carlo methods as well as how to avoid common programming pitfalls. Theoretical concepts and practical programming advice are amply reinforced with examples of computer simulation in action and samples of Fortran code. The authors have also included a wide selection of programs and routines on microfiche to aid chemists, physicists, chemical engineers, and computer scientists, as well as graduate and advanced students in chemistry.

    This thorough introduction to analytical chemistry prepares readers to evaluate and compare analytical methods and equipment, perform quantitative determinations, and appreciate limits of detection, sensitivity, and specificity.

    It was the lab manual used by the Aum cult for their nerve gas manufacturing operation. This celebration of that ancient and fine art of poisoning largely focuses upon the guerrilla deployment of chemical warfare technology on scales ranging from individual assassination missions to large scale assaults covering areas equivalent to several city blocks. Nerve gases, ricin, botulinum toxin, and many other agents are covered in detail along with production and deployment information.

    Despite the fact that commercially available chemicals are often of a very high quality, and quite satisfactory for some applications within science and technology, it is becoming almost as important to know what impurities are present and make allowance for them as to remove them completely. This book will show you how. Chapter 1 has been reorganised and updated, and most of it is in smaller print in order not to increase the size of the book. Chapters 2 and 5 have been similarly altered and combined into one chapter, Chapter 2, again in order to save pages. 800 and 350 entries have been added to Chapter 3 (25% increase) and Chapter 4 (44% increase) respectively, and 400 entries (310% increase) were added to Chapter 5 (Chapter 6 in the third edition) making a total of 5700 entries, all resulting in an increase from 319 to 529 pages, i.e. ca 35%. This considerably expanded and revised fourth edition includes much new material dealing with modern reagents for natural products chemistry, protein biochemistry and molecular biology. It also includes many individual compounds not previously covered, and more information is given for most entries, including melting and boiling points, molecular weights, refractive indexes, densities and CAS registry numbers, as well as likely contaminants and storage conditions in appropriate cases.

    The book also incorporates updated discussions of many of the fundamental components of HPLC systems and practical issues associated with the use of this analytical method. This edition includes new or expanded treatments of sample preparation, computer assisted method development, as well as biochemical samples, and chiral separations.

    Using a lively, graphic, descriptive approach, it teaches chemists the language that is necessary to understand the electronic structure of extended systems. And, at the same time, it demonstrates how a chemical, frontier-orbital, approach to solid state and surface bonding and reactivity may be constructed.The book begins with the language of crystal orbitals, band structures and densities of states. The tools for moving back from the highly delocalized orbitals of the solid are then built up in a transparent manner; they include decompositions of the densities of states and crystal orbital overlap populations. Using these tools, the book shapes a meeting ground between detailed quantum mechanical calculations and a chemical frontier orbital perspec- tive. Applications include a general picture of chemisorption, bond-breaking and making in the solid state, bonding in metals, the electronic structure of selected conducting and supercon- ducting structures, dissociation, migration and coupling on surfaces and the forces controlling deformation of extended systems.