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Chemical Modelling
Chemical Modelling covers a wide range of disciplines and is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments and current opinion in the applications and theory of chemical modelling.
Computational Pharmaceutical Solid State Chemistry
This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. • Provides descriptive and applied state-of-the-art computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection • Includes real industrial case examples related to application of modeling methods in problem solving • Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science
NMR Crystallography
The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. The term "NMR Crystallography" has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffra...
Pharmaceutical Salts and Co-crystals
His unique book focuses on the currently 'hot topic' of Pharmaceutical Salts and Co-crystals. Combining both reports of the latest academic research and comprehensive overviews of basic principles, with more applied contributions from selected experts in industry.
High Performance Pigments
This volume is the ideal companion to Wiley's trilogy: The Pigments Handbook (1988), Industrial Organic Pigments (1997), and Industrial Inorganic Pigments (1998). High Performance Pigments have become increasingly important in recent years, with a growth rate well in advance of the more classical types of pigments. The book offers both producers and users of High Performance Pigments the opportunity to review and update their understanding of latest technologies and market issues impacting both inorganic and organic High Performance Pigments, together with assessing key regulatory affairs, in this specialty niche of the chemical industry. The manufacture of High Performance Pigments is today a global industry. This is reflected in the multinational expertise of the over twenty experts, drawn from Europe, North America and Asia, who have authored chapters in this book. No professional today can afford to waste time on unfocussed research. This book will effectively help chemists, physicists, engineers, applications and regulatory specialists, and materials scientists to stay ahead in this fast-changing field.
High Performance Pigments
High Performance Pigments have become increasingly important in recent years, with a growth rate well in advance of the more classical types of pigments. This book provides up-to-date information on the market for high performance pigments, synthesis, reaction mechanisms, physical and chemical properties, applications, regulatory affairs, toxicology and ecotoxicology. It is the only one on the market covering all high performance pigments in a single volume, offering both producers and users of High Performance Pigments the opportunity to review and update their understanding of latest technologies and market issues, together with assessing key regulatory affairs, in this specialty niche of ...
Energetic Materials
This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the pr...
Practical Aspects of Computational Chemistry V
This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference “Current Trends in Computational Chemistry”, organized by Jerzy Leszczynski, one of ...
