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The Fragment Molecular Orbital Method
Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie
Quality of Experience
This pioneering book develops definitions and concepts related to Quality of Experience in the context of multimedia- and telecommunications-related applications, systems and services and applies these to various fields of communication and media technologies. The editors bring together numerous key-protagonists of the new discipline “Quality of Experience” and combine the state-of-the-art knowledge in one single volume.
Phthalocyanines
Up-to-date and written by leading experts, this book is unique in a rapidly expanding field. It provides in-depth discussions and descriptions of the materials, electronic properties and applications of phthalocyanines. Aspects of phthalocyanines covered include * synthesis * polymer aspects * electronic spectroscopy * excited state chemistry and physics * chemical sensors * biological aspects (e.g. photodynamic therapy of cancer) The numerous tables, chemical structures, and references are particularly handy source materials for both the novice and experienced researcher and industrial practitioner interested in phthalocyanines.
Cancer-Associated Thrombosis
Showcasing the expertise of top-tier specialists who contributed to the newly released guidelines for the care of thrombosis in cancer patients, this exciting guide was written and edited by members of the American Society of Clinical Oncology panel, (ASCO), on the prevention and treatment of cancer-associated thrombosis, among others, and provides
Teaching and Learning Geography
This book provides a clear overview of current thinking on the teaching and learning of geography. It is an ideal companion to all students beginning a career in teaching the subject in secondary schools. The chapters are written by experienced teacher educators and bridge both theory and practice. The writers focus on the continuities, whilst setting them in the context of the changing curriculum. The book is divided into four parts. Part One examines the historical context of geography teaching. Part Two looks at issues of course planning, design, syllabuses and programmes of study. Underlying this section is the assumption that geography should not be considered in isolation from other subjects, but rather as part of a whole curriculum. Part Three concentrates on teaching and learning, and includes chapters on the use of maps, field work, IT and first hand experience within a community. The final section covers the issues associated with assessment, across the whole school age range.
Recent Advances of the Fragment Molecular Orbital Method
This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both r...
High Performance Non-Oxide Ceramics II
The nitrides and carbides of boron and silicon are proving to be an excellent choice when selecting materials for the design of devices that are to be employed under particularly demanding environmental and thermal con- tions. The high degree of cross-linking, due to the preferred coordination numbers of the predominantly covalently bonded constituents equalling or exceeding three, lends these non-oxidic ceramics a high kinetic stability, and is regarded as the microscopic origin of their impressive thermal and mechanical durability. Thus it does not come as a surprise that the chemistry, the physical properties and the engineering of the corresponding binary, ternary, and even quaternary co...
Numerical Linear Algebra and Applications
Full of features and applications, this acclaimed textbook for upper undergraduate level and graduate level students includes all the major topics of computational linear algebra, including solution of a system of linear equations, least-squares solutions of linear systems, computation of eigenvalues, eigenvectors, and singular value problems. Drawing from numerous disciplines of science and engineering, the author covers a variety of motivating applications. When a physical problem is posed, the scientific and engineering significance of the solution is clearly stated. Each chapter contains a summary of the important concepts developed in that chapter, suggestions for further reading, and numerous exercises, both theoretical and MATLAB and MATCOM based. The author also provides a list of key words for quick reference. The MATLAB toolkit available online, 'MATCOM', contains implementations of the major algorithms in the book and will enable students to study different algorithms for the same problem, comparing efficiency, stability, and accuracy.
Supramolecular Photosensitive and Electroactive Materials
In the last decade, much progress has been made in these materials. This book presents a highly coherent coverage of supramolecular, photosensitive and electroactive materials, namely those that have been extensively investigated for applications in fields of electronic and photonic technologies. This extensive reference provides broad coverage of on different types of materials, their processing, spectroscopic characterization, physical properties and device applications.The implications reach from molecular recognition in synthetic and natural complexes to exciting new applications in chemical technologies, materials, nanostructures, functional materials, new generation catalysts, signal t...
