elsevier science technology mär 2004 (5 risultati)

Buch. Condizione: Neu. Neuware - Provides an introduction to chemical thermodynamics for engineers. This book presents the main concepts of thermodynamic quantities such as enthalpy and entropy. It discusses the intricate formulae in thermodynamics as functionally unified sets of formulae to understand their meaning rather than to mathematically derive them in detail.

Buch. Condizione: Neu. Neuware - The book is intended for people (graduates, researchers, but also undergraduates with a good mathematical background) involved in the study of (static) optimization problems (in finite-dimensional spaces). It contains a lot of material, from basic tools of convex analysis to optimality conditions for smooth optimization problems, for non smooth optimization problems and for vector optimization problems. The development of the subjects are self-contained and the bibliographical references are usually treated in different books (only a few books on optimization theory deal also with vector problems), so the book can be a starting point for further readings in a more specialized literature. Assuming only a good (even if not advanced) knowledge of mathematical analysis and linear algebra, this book presents various aspects of the mathematical theory in optimization problems. The treatment is performed in finite-dimensional spaces and with no regard to algorithmic questions. After two chapters concerning, respectively, introductory subjects and basic tools and concepts of convex analysis, the book treats extensively mathematical programming problems in the smmoth case, in the nonsmooth case and finally vector optimization problems. Self-contained Clear style and results are either proved or stated precisely with adequate references The authors have several years experience in this field Several subjects (some of them non usual in books of this kind) in one single book, including nonsmooth optimization and vector optimization problems Useful long references list at the end of each chapter.

Buch. Condizione: Neu. Neuware - Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume.

Buch. Condizione: Neu. Neuware - The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and superheavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also becoming part of standard ab-initio and density functional program packages for molecules and the solid state. The second volume of this two-part book series is therefore devoted to applications in this area of quantum chemistry and physics of atoms, molecules and the solid state. Part 1 was devoted to fundamental aspects of relativistic electronic structure theory whereas Part 2 covers more of the applications side. This volume opens with a section on the Chemistry of the Superheavy Elements and contains chapters dealing with Accurate Relativistic Fock-Space Calculations for Many-Electron Atoms, Accurate Relativistic Calculations Including QED, Parity-Violation Effects in Molecules, Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules, Two-Component Relativistic Effective Core Potential Calculations for Molecules, Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters, Relativistic Pseudopotential Calculations for Electronic Excited States, Relativistic Effects on NMR Chemical Shifts, Relativistic Density Functional Calculations on SmallMolecules, Quantum Chemistry with the Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory, and Relativistic Solid State Calculations. - Comprehensive publication which focuses on new developments in relativistic quantum electronic structure theory- Many.

Buch. Condizione: Neu. Neuware - Against a background of extensive multi-disciplinary oceanographic investigations over a number of years, together with the long-term establishment of a Society and Institute, extensive information is available from studies undertaken in the estuarine and coastal waters of the Basque Country.