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Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics
The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Discovery and Development of Neuroprotective Agents from Natural Products
Discovery and Development of Neuroprotective Agents from Natural Products draws together global research on medicinal agents from natural sources as starting points for the design of neuroprotective drugs. From the prediction of promising leads and identification of active agents to the extraction of complex molecules, the book explores a range of important topics to support the development of safer, more economical therapeutics for these increasingly prevalent diseases. Beginning with an overview of current developments in the field, the book goes on to explore the identification, extraction and phytochemistry of such neuroprotective agents as antioxidants, biophenols and naturally occurrin...
Multicomponent Reactions
In the very first book on this hot topic, the expert editors andauthors present a comprehensive overview of these elegantreactions. From the contents: Organoboron compounds Free-radical mediated multicomponent coupling reactions Applications in drug discovery Metal catalyzed reactions Total synthesis of natural products Asymmetric isocyanide-based reactions The Biginelli reaction Asymmetric isocyanide-based reactions The Domino-Knoevenagel-Hetero-Diels-Alder Reaction and relatedtransformations Catalytic asymmetric reactions Algorithm based methods for discovering novel reactions Post-condensation modifications of the Passerini and Ugireactions An essential reference for organic and catalytic chemists, andthose working in organometallics both in academia and industry.
Red Wine Technology
Red Wine Technology is a solutions-based approach on the challenges associated with red wine production. It focuses on the technology and biotechnology of red wines, and is ideal for anyone who needs a quick reference on novel ways to increase and improve overall red wine production and innovation. The book provides emerging trends in modern enology, including molecular tools for wine quality and analysis. It includes sections on new ways of maceration extraction, alternative microorganisms for alcoholic fermentation, and malolactic fermentation. Recent studies and technological advancements to improve grape maturity and production are also presented, along with tactics to control PH level.T...
Science of Synthesis: Water in Organic Synthesis
Water in Organic Synthesis is essential for the organic chemist in helping gain a thorough appreciation of the latest and most reliable available methods for using water in organic synthesis. It illustrates how water can often be a viable and green solvent in the laboratory and provides a detailed introduction to the subject: background information, evaluated methods, practical applications, industrial applications, special techniques, and an overview of the latest trends. The reference work also helps in inspiring chemists worldwide to find new approaches and techniques for the application of water in organic synthesis. Comprehensive overview of a rapidly progressing field Critical review of aqueous reactions by 47 experts Covering almost all types of organic reactions Including special techniques with water and industrial applications Emphasis on environmental aspects
Name Reactions of Functional Group Transformations
This practical, well-organized reference delves deeply into functional group transformations, to provide all the detailed information that researchers need. Topics are organized into the following sections: oxidation, reduction, asymmetric synthesis, and functional group manipulations Each section includes a description of the functional group transformation, the historical perspective, mechanisms, variations and improvements on the reaction, synthetic utilities and applications for the reaction, experimental details, and references to the primary literature Contributors are well-known and respected for their work on the specific name reactions.
The Chemistry of Indoles
Organic Chemistry, Volume 18: The Chemistry of Indoles discusses the chemistry of indole derivatives. This book explores the potent biological activity of several indole derivatives and explains the structure of indole alkaloids. Organized into 10 chapters, this monograph starts with an overview of the most important types of reactions of the indole ring on a mechanical basis. This text then proceeds to review the methods of synthesizing indoles and describes the oxidations and rearrangements of indole derivatives. Other chapters explore the special features of the synthesis and reactivity of hydroxyindoles, acylindoles, and aminoindoles. This book discusses as well the properties of carboxyl groups, which is substituted on the benzenoid ring of the indole nucleus that is typical of aromatic carboxylic acids. The final chapter deals with the certain classes of indoles that are found in nature. Chemists, researchers, and readers interested in the chemistry of indoles will find this book extremely useful.
Recent Advances In Density Functional Methods, Part Ii
Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the computational methodology of DFT.This Part II expands on the methodology and applications of DFT. Some of the chapters report on the latest developments (since the publication of Part I in 1995), while others extend the applications to wider range of molecules and their environments. Together, this and other recent review volumes on DFT show that DFT provides an efficient and accurate alternative to traditional quantum chemical methods. Such demonstration should hopefully stimulate frutiful developments in formal theory, better exchange-correlation functionals, and linear scaling methodology.
Vinyl Cations
Vinyl Cations provides a comprehensive and detailed treatment of the reactive intermediate in which the electron-deficient carbon is an integral part of a ? unsaturation. This book emphasizes that the reaction through vinyl cations is a viable pathway among the multitude of mechanistic routes for vinylic substitution. The aryl, ethynyl, and allenyl cations from the viewpoint of direct solvolytic generation from appropriate allenyl precursors are briefly discussed. Other topics include the preparative aspects of electrophilic additions to alkynes, participation of allenyl bonds in solvolyses, and vinyl cations generated through diazonium ions. The nature of the cationic intermediates, migrations across the double bond, thiirenium ions, and species related to vinyl cations are likewise elaborated. This publication is beneficial to chemists and researchers concerned with vinyl cations.
