Chemistry Education Modeling Molecular Organic Software

Traditionally, physical organic chemistry and theoretical organic chemistry have been treated as separate disciplines. This new book bridges these two areas in order to give the reader a new perspective on the nature of organic reactivity. A key element of this new approach is the author's extensive nonmathematical description of the recently developed curve-crossing model that describes why chemical reactions have an activation barrier, and specifies the factors that govern the barrier heights. In addition, the author draws from physical chemistry and transition-metal chemistry to present an original and detailed description of electron transfer theory, and covers the recent discovery that the electron transfer process is intimately related to many basic organic processes. This book has been divided into three parts to facilitate its mixture of classical organic chemistry with new and established theoretical ideas. Part A presents an introductory description of molecular orbital and valence bond theories with emphasis on the qualitative aspects that can be applied to practical problems in organic structure and reactivity. Part B describes the key principles of physical organic chemistry and incorporates a mainly qualitative description of the Marcus theory of electron transfer. Building on the theoretical framework developed in parts A and B, part C offers an overview of the basic reactions of organic chemistry: nucleophilic and electrophilic substitution, and radical and pericyclic reactivity. In addition, part C clearly explains the most recent unifying description of organic reactivity for organic chemists and for graduate and advanced undergraduate students.

Molecular modeling has assumed an important role in understanding the three-dimensional aspects of specificity in drug-receptor interactions at the molecular level. Well-established in pharmaceutical research, molecular modeling offers unprecedented opportunities for assisting medicinal chemists in the design of new therapeutic agents. Advances made in computer hardware and in theoretical medicinal chemistry have brought high-performance computing and graphics tools within the reach of most academic and industrial laboratories, and permitted the development of new approaches to rational drug design. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis of the molecular structure of biological molecules and drugs and the correlation of these structures with pharmacological actions. Intended as a guide to the capabilities of computer-assisted modeling in drug design and discovery for advanced students and professionals, this book will be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field.

Nanotechnology education - Nanotechnology education is being offered by more and more universities around the world, especially in Australia and Europe. Generally they involve a multidisiplinary natural science education with courses in nanotechnology, physics, chemistry, math and molecular biology.

OpenEye Scientific Software - OpenEye Scientific Software, Inc. develops large-scale molecular modeling applications and toolkits.

IUPAC nomenclature of organic chemistry - The IUPAC nomenclature of organic chemistry is a systematic way of naming organic chemical compounds as recommended by the International Union of Pure and Applied Chemistry (IUPAC). Ideally, every organic compound should have a name from which an unambiguous structural formula can be drawn.

Organic and Biomolecular Chemistry - Organic and Biomolecular Chemistry is a scientific journal devoted to Organic chemistry published since 2003 by the Royal Society of Chemistry. Its predecessor journals were Perkin Transactions I and Perkin Transactions II.

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