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The applications of methods from microlocal analysis for PDE have been a fast developing area during the last years. The authors, both are well known in the community, publish for the first time some of their research results in a summarized form. The essential point of the approach is the use of the various types of approximate (asymptotic) solutions in the study of differential equations in the smooth and the Gevrey spaces. In this volume, the authors deal with the following themes: Microlocal properties of pseudodifferential operators with multiple characteristics of involutive type in the framework of the Sobolev spaces; Abstract schemes for constructing approximate solutions to linear partial differential equations with characteristics of constant multiplicity m greater than or equal 2 in the framework of Gevrey spaces; Local solvability, hypoellipticity and singular solutions in Gevrey spaces; Global Gevrey solvability on the torus for linear partial differential equations; Applications of asymptotic methods for local (non)solvability for quasihomogeneous operators; Applications of Airy asymptotic solutions to degenerate oblique derivative problems for second order strictly hyperbolic equations; Approximate Gevrey normal forms of analytic involutions and analytic glancing hypersurfaces with applications for effective stability estimates for billiard ball maps. ... Read more

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Activation Spectrometry in Chemical Analysis Susan J. Parry In clear, easy-to-read language, Activation Spectrometry in Chemical Analysis provides a straightforward review of just what activation analysis can do, describing the technique as it is currently applied to biomedical, environmental, geological, and industrial analytical problems. The book outlines the specifics of the procedures that have proven critical to the technique’s success and describes the current status of activation spectrometry in a concise, three-part format: principles, techniques, and applications. Written for undergraduates and postgraduates in universities, research institutes, government, or industry, the book provides the first definitive look at the day-to-day and key uses of the method that is at once challenging and intriguing, yet simple to grasp. 1991 (0 471-63844-7) 264 pp. Principles and Practice of Spectroscopic Calibration Howard Mark Clearly linking theory with applications, this unique guide to spectroscopic calibration advances an approach that is understandable, free of the usual uncertainties, and simple to execute. The book details the practical aspects of generating a calibration equation, as well as the basics of recognizing and dealing with different types of problems affecting calibration. Most of the procedures are applicable to such sophisticated and popular approaches as Principal Component Calibration (PCA), Partial Least Squares Calibration (PLS), and Fourier Transform Calibration. 1991 (0 471-54614-3) 192 pp. Analytical Raman Spectroscopy Edited by Jeanette G. Grasselli and Bernard J. Bulkin Analytical Raman Spectroscopy charts, through a series of contributed articles, the spectacular versatility of the method and its applications in semiconductor characterization, synthetic organic polymer analysis, organic and petrochemical analysis, heterogeneous catalysts, and biological studies. Chapters feature an outline structure which systematically details the critical aspects of each subject discussed. The book provides a unique look at the field’s fundamental operational techniques, instrumentation, and up-to-the-minute advances: components of modern Raman spectrometers; Raman spectroscopy of inorganic species in solution; quantitative analysis by Raman spectroscopy; and much more. 1991 (0 471-51955-3) 480 pp. ... Read more

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Provided here are the mathematical and physical modelling techniques developed for representing metals processing operations such as extraction, refining and solidification. Often referred to as transport phenomena, these techniques are specific to primary metals and used for process optimization and process development now becoming essential as industry moves to on-line computer control of metal processing. This subject matter covers the components of models based on fluid flow: heat and mass transfer; obtaining measurements (data acquisition); optimization of the process; and numerical solutions. It covers the basic principles of numerical solution of differential equations, both finite differences and finite elements. Examples are also included. ... Read more

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The main subjects are: - a comprehensive mathematical description of molecular systems, - a new reaction path concept, - an algorithm for following the reaction path. The reaction path's tangent is determined by an excitation vector and the saddle points surrounding a minimizer can be localized without further information. A procedure appropriate to trace these reaction paths is presented. ... Read more

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Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, and chemistry. With invited reviews written by leading international researchers, as well as regular thematic issues, each volume presents new results and provides a single vehicle for following progress in this interdisciplinary area.

Volume 47 is a tribute in honor of Professor Osvaldo Goscinski. The volume will look at the accomplishments of a man who has led a remarkable development within the field and developed and strengthened scientific networks in Quantum Chemistry and Chemical Physics.

* Provides a tribute in honor of Professor Osvaldo Goscinski, a man who has led a remarkable development within the field ... Read more

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All papers have been peer-reviewed. The aim of the International Conference of Numerical Analysis and Applied Mathematics (ICNAAM 2008) is to bring together leading scientists of the international Numerical & Applied Mathematics community and to attract original research papers of very high quality. The topics to be covered include (but are not limited to): All the research areas of Numerical Analysis and Computational Mathematics and all the research areas of Applied Mathematics.

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All papers have been peer-reviewed. The 5th International Conference of Numerical Analysis and Applied Mathematics (ICNAAM 2007), Official Conference of the European Society of Computational Methods in Sciences and Engineering (ESCMSE), and the 5th International Conference on Computational Methods in Sciences and Engineering 2007 (ICCMSE 2007), Recognized Conference of the European Society of Computational Methods in Sciences and Engineering (ESCMSE) have both taken place at Hotel Marbella in Corfu, Greece between 16th and 20th September 2007 and 25th and 30th September 2007, respectively. We note that for ICCMSE there is a co-sponsorship by American Chemical Society. The aim of ICNAAM is to bring together leading scientists of the international Numerical and Applied Mathematics community and to attract original research papers of very high quality. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a Conference on Computational Science and its applications to Science and Engineering. Based on the universality of mathematical reasoning the ICCMSE favors the interaction of various fields of Knowledge to the benefit of all. Emphasis is given to the multidisciplinary character of the Conference. The principal ambition of the ICCSME is to promote the exchange of novel ideas through the close interaction of research groups from all Sciences and Engineering. In this Volume, we present special contributions of these two Conferences which cover the aim and the scope of each of these events.

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The International Symposium on Interdisciplinary Science (ISIS) hosted some of the world's most renowned researchers in physics, life science, and chemistry to discuss the interdisciplinary approaches to complex scientific phenomenon. The collection is a diverse cross-section of ongoing research on cell motility, nonlinear waves, theoretical physics and biochemical complexity.

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The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems. ... Read more

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The aim of IeCCS 2007 is to bring together leading scientists of the international Computer Science community and to attract original research papers of very high quality. The topics to be covered include (but are not limited to): Numerical Analysis, Scientific Computation, Computational Mathematics, Mathematical Software, Programming Techniques and Languages, Parallel Algorithms and its Applications, Symbolic and Algebraic Manipulation, Analysis of Algorithms, Problem Complexity, Mathematical Logic, Formal Languages, Data Structures, Data Bases, Information Systems, Artificial Intelligence, Expert Systems, Simulation and Modeling, Computer Graphics, Software Engineering, Image Processing, Computer Applications, Hardware, Computer Systems Organization, Software, Data, Theory of Computation, Mathematics of Computing, Information Systems, Computing Methodologies, Computer Applications, Computing Milieu (see http://www.ieccs.net/topics.htm).

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Few books cover experimental and theoretical methods to characterize decomposition, combustion and detonation of energetic materials. This volume, by internationally known and major contributors to the field, is unique because it summarizes the most important recent work, what we know with confidence, and what main areas remain to be investigated. Most chapters comprise summaries of work spanning decades and contain expert commentary available nowhere else. Although energetic materials are its focus, this book provides a guide to modern methods for investigations of condensed and gas-phase reactions. Although these energetic reactions are complex and difficult to study, the work discussed here provides readers with a substantial understanding of the behavior of materials now in use, and a predictive capability for the development of new materials based on target properties. ... Read more

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The aim of Molecular and Nano Electronics: Analysis, Design and Simulation is to draw together contributions from some of the most active researchers in this new field in order to illustrate a theory guided-approach to the design of molecular and nano-electronics. The field of molecular and nano-electronics has driven solutions for a post microelectronics era, where microelectronics dominate through the use of silicon as the preferred material and photo-lithography as the fabrication technique to build binary devices (transistors). The construction of such devices yields gates that are able to perform Boolean operations and can be combined with computational systems, capable of storing, processing, and transmitting digital signals encoded as electron currents and charges. Since the invention of the integrated circuits, microelectronics has reached increasing performances by decreasing strategically the size of its devices and systems, an approach known as scaling-down, which simultaneously allow the devices to operate at higher speeds.

* Provides a theory-guided approach to the design of molecular and nano-electronics
* Includes solutions for researchers working in this area
* Contributions from some of the most active researchers in the field of nano-electronics ... Read more

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The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spreadsheet, enabling the reader to study the programs, play with them and observe what happens. Suitable data are generated for each example in short routines, this ensuring a clear understanding of the data structure. Chapter 2 includes a brief introduction to matrix algebra and its implementation in Matlab and Excel while Chapter 3 covers the theory required for the modelling of chemical processes. This is followed by an introduction to linear and non-linear least-squares fitting, each demonstrated with typical applications. Finally Chapter 5 comprises a collection of several methods for model-free data analyses.

* Includes a solid introduction to the simulation of equilibrium processes and the simulation of complex kinetic processes.
* Provides examples of routines that are easily adapted to the processes investigated by the reader
* 'Model-based' analysis (linear and non-linear regression) and 'model-free' analysis are covered ... Read more

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Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials.

* Provides an overview of computational photochemistry, dealing with principles and applications
* Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials
* Written by experts in computational photochemistry ... Read more

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This book presents biosensor development and modeling from both a chemical and a mathematical point of view. It contains unique modeling methods for catalytical (amperometric, potentiometer and optical) biosensors. It examines processes that occur in the sensors' layers and at their interface, and it provides analytical and numerical methods to solve enzymatic kinetic and diffusion equations. The action of single enzyme as well as polyenzyme biosensors is studied, and the modeling of biosensors that contain perforated membranes and multipart mass transport profiles is critically investigated. Furthermore, it is fully described how signals can be biochemically amplified, how cascades of enzymatic substrate conversion are triggered, and how signals are processed via a chemometric approach and artificial neuronal networks. The results of digital modeling are compared with both proximal analytical solutions and experimental data.

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Intended as a companion for textbooks in mathematical methods for science and engineering, this book presents a large number of numerical topics and exercises together with discussions of methods for solving such problems using Mathematica(R). The accompanying CD contains Mathematica Notebooks for illustrating most of the topics in the text and for solving problems in mathematical physics. Although it is primarily designed for use with the author's "Mathematical Methods: For Students of Physics and Related Fields," the discussions in the book sufficiently self-contained that the book can be used as a supplement to any of the standard textbooks in mathematical methods for undergraduate students of physical sciences or engineering. ... Read more

Customer Reviews (1)

succinct yet clear
I found the book to be very clear, and gives just enough of an explanation and examples to get one started and exploring. It certainly does not lead you by the hand, yet the author manages to pack in a lot of information. I found it to be one of the best introductions to Mathematica and higly recommend it to any science or math major. ... Read more

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This is an EXACT reproduction of a book published before 1923. This IS NOT an OCR'd book with strange characters, introduced typographical errors, and jumbled words.This book may have occasional imperfections such as missing or blurred pages, poor pictures, errant marks, etc. that were either part of the original artifact, or were introduced by the scanning process. We believe this work is culturally important, and despite the imperfections, have elected to bring it back into print as part of our continuing commitment to the preservation of printed works worldwide. We appreciate your understanding of the imperfections in the preservation process, and hope you enjoy this valuable book. ... Read more

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One of the most striking phenomena in condensed matter physics is the occurrence of abrupt transitions in the structure of a substance at certain temperatures or pressures. These are first order phase transitions, and examples such as the freezing of water are familiar in everyday life. The conditions at which the transformation takes place can sometimes vary. For example, the freezing point of water is not always 0°C, but the liquid can be supercooled considerably if it is pure enough and treated carefully. The reason for this phenomenon is nucleation.

This monograph covers all major available routes of theoretical research of nucleation phenomena (phenomenological models, semi-phenomenological theories, density functional theories, microscopic and semi-microscopic approaches), with emphasis on the formation of liquid droplets from a metastable vapor. Also, it illustrates the application of these various approaches to experimentally relevant problems.

In spite of the familiarity of the involved phenomena, it is still impossible to calculate nucleation accurately, as the properties and the kinetics of the daughter phase are insufficiently well known. Existing theories based upon classical nucleation theory have on the whole explained the trends in behavior correctly. However they often fail spectacularly to account for new data, in particular in the case of binary or, more generally, multi-component nucleation. The current challenge of this book is to go beyond such classical models and provide a more satisfactory theory by using density functional theory and microscopic computer simulations in order to describe the properties of small clusters. Also, semi-phenomenological models are proposed, which attempt to relate the properties of small clusters to known properties of the bulk phases.

This monograph is an introduction as well as a compendium to researchers in soft condensed matter physics and chemical physics, graduate and post-graduate students in physics and chemistry starting on research in the area of nucleation, and to experimentalists wishing to gain a better understanding of the efforts being made to account for their data.

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The two volumes of Maths for Chemists provide an excellent resource for all undergraduate chemistry students but are particularly focussed on the needs of students who may not have studied mathematics beyond GCSE level (or equivalent). The texts are introductory in nature and adopt a sympathetic approach for students who need support and understanding in working with the diverse mathematical tools required in a typical chemistry degree course.