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Reviews in Computational Chemistry
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. * A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. * ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Phosphazenes
The main aim of this book is to provide a complete picture of current research on phosphazene compounds carried out around the world. The book opens with a general introduction, then moves on to cover synthetic aspects of phosphazene polymers, their characterization in solution and from the theoretical, thermal, and mechanical points of view; application aspects of poly(organophosphazenes); and the synthesis, characterization, and practical utilization of cyclophosphazenes. There is particular focus on the use of cyclophosphazenes as hydraulic fluids and additives, as cores for star polymers or dendrimers, and as starting substrates for supramolecular chemistry and nanostructured materials. The spectroscopic characterization of these compounds by NMR and Raman techniques is also discussed. Annotation : 2004 Book News, Inc., Portland, OR (booknews.com).
Spectroscopy of Biological Molecules: Modern Trends
The 1997 European Conference on Spectroscopy of Biological Molecules (ECSBM) is the seventh in a biennial series of conferences devoted to the applications of molecular spectroscopy to biological molecules and related systems. The interest of these conferences rests mainly on the relationship between the structure and physiological activity of biological molecules and related systems of which these molecular species form part. This volume ofECSBM contains articles prepared by the invited lecturers and those making poster presentations at the seventh ECSBM. The reader will find mainly applications of vibrational spectroscopy to protein structure and dynamics, biomembranes, molecular recogniti...
Carbohydrate Chemistry
Carbohydrate Chemistry provides review coverage of all publications relevant to the chemistry of monosaccharides and oligosaccharides in a given year. The amount of research in this field appearing in the organic chemical literature is increasing because of the enhanced importance of the subject, especially in areas of medicinal chemistry and biology. In no part of the field is this more apparent than in the synthesis of oligosaccharides required by scientists working in glycobiology. Clycomedicinal chemistry and its reliance on carbohydrate synthesis is now very well established, for example, by the preparation of specific carbohydrate- based antigens, especially cancer-specific oligosaccha...
Coherent Excitations in Biological Systems
The articles in this volume are based on papers presented at the International Symposium in Bad Neuenahr November 29 - December 1, 1982. The meeting was directed by H. Frohlich and was sponsored by IBM Deutschland through its Science and Education Programs Department. Contents Coherence in Biology H. Frohlich . Coherent Excitations and Raman Effect F. Drissler and L. Santo (With 4 Figures) 6 The Non-thermal Effect of Millimeter Wave Radiation on the Puffing of Giant Chromosomes F. Kremer, C. Koschnitzke, L. Santo, P. Quick, and A. Poglitsch (With 4 Figures) 10 Nonthermal Resonant Effects of 42 GHz Microwaves on the Growth of Yeast Cultures W. Grundler, F. Keilmann, V. Putterlik, L. Santo, D....
Retinal Proteins
Significant progress has been made in the research into the molecular basis of vision, especially retinal proteins, which are the components of visual reception. The results of these studies open wide prospects for their application in medicine and in the construction of unique light-sensitive materials for holography and microelectronics. Therefore, research into retinal proteins is not only important for understanding the mechanisms of the native light-transducing systems but also for the development of new technologies. An international group of scientists discussed the key aspects of the study of light-sensitive systems at the Conference on Retinal Proteins held in July 1986. This Proceedings volume contains 45 papers that were presented on this important topic in molecular biology.
Inclusion Aspects of Membrane Chemistry
There is no doubt that the field of artificial membrane transport using synthetic ionophores has advanced remarkably in the past 15 years due primarily to the synthesis of new ionophores. Even though the theoretical framework substantially predated this activity, the merging of theory with transport experiment has often been sketchy. The purpose of this outline has been to examine key examples to illustrate the underlying principles and to suggest how experimental variables dominate the results obtained. To a very good approximation the assumption of a "diffusion" regime is often justified, is easily confirmed experimentally and provides a clear framework for exploitation of the inherent sel...
Carbohydrate Chemistry
Carbohydrate Chemistry provides review coverage of all publications relevant to the chemistry of monosaccharides and oligosaccharides in a given year. The amount of research in this field appearing in the organic chemical literature is increasing because of the enhanced importance of the subject, especially in areas of medicinal chemistry and biology. In no part of the field is this more apparent than in the synthesis of oligosaccharides required by scientists working in glycobiology. Clycomedicinal chemistry and its reliance on carbohydrate synthesis is now very well established, for example, by the preparation of specific carbohydrate- based antigens, especially cancer-specific oligosaccha...
Terahertz Frequency Detection and Identification of Materials and Objects
Want an overview of where the technology of terahertz detection has been going? Here it is. The technology has largely been developed around expensive and bulky femtosecond laser systems but, as described in this book, advances in semiconductor superlattice technology are leading to compact "electronic" sources such as the quantum cascade laser, two-terminal "Gunn" type oscillators and even a THz frequency amplifier. These advances towards electronic (as opposed to optical) THz systems mean that the technology will become portable and much less costly.
Theoretical Biochemistry
Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science. This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.
