Последние поступления

Peter Comba Modeling of Molecular Properties peter comba modeling of molecular properties
Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an international group of experienced theoretically oriented chemists, are grouped into four parts: Theory and Concepts; Applications in Homogeneous Catalysis; Applications in Pharmaceutical and Biological Chemistry; and Applications in Main Group, Organic and Organometallic Chemistry. The various chapters include concept papers, tutorials, and research reports.
12947.59 RUR
Sandor Fliszar Atomic Charges, Bond Properties, and Molecular Energies peter comba modeling of molecular properties
The first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained presentation develops relatively uncomplicated but physically meaningful approaches to molecular properties by providing derivations of all the required formulas from scratch, developed in Professor Fliszar's laboratory. This book is vitally relevant to organic- and biochemists, molecular biologists, materials scientists, and nanoscientists.
8806.99 RUR
The Minerals, Metals & Materials Society (TMS) TMS 2011 140th Annual Meeting and Exhibition, Materials Fabrication, Properties, Characterization, and Modeling peter comba modeling of molecular properties
Presents the most up-to-date information on the state of Materials Fabrication, Properties, Characterization, and Modeling. It's a great mix of practical applied technology and hard science, which is of invaluable benefit to the global industry.
14258.78 RUR
Ward Ian M. Mechanical Properties of Solid Polymers peter comba modeling of molecular properties
Providing an updated and comprehensive account of the properties of solid polymers, the book covers all aspects of mechanical behaviour. This includes finite elastic behavior, linear viscoelasticity and mechanical relaxations, mechanical anisotropy, non-linear viscoelasicity, yield behavior and fracture. New to this edition is coverage of polymer nanocomposites, and molecular interpretations of yield, e.g. Bowden, Young, and Argon. The book begins by focusing on the structure of polymers, including their chemical composition and physical structure. It goes on to discuss the mechanical properties and behaviour of polymers, the statistical molecular theories of the rubber-like state and describes aspects of linear viscoelastic behaviour, its measurement, and experimental studies. Later chapters cover composites and experimental behaviour, relaxation transitions, stress and yielding. The book concludes with a discussion of breaking phenomena.
11567.39 RUR
Isaac Bersuker B. Electronic Structure and Properties of Transition Metal Compounds. Introduction to the Theory peter comba modeling of molecular properties
With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. Including ~70 Example-Boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter, this publication is also suitable for use as a textbook for advanced undergraduate and graduate students. Novel material is introduced in description of multi-orbital chemical bonding, spectroscopic and magnetic properties, methods of electronic structure calculation, and quantum-classical modeling for organometallic and metallobiochemical systems. This is an excellent reference for chemists, researchers and teachers, and advanced undergraduate and graduate students in inorganic, coordination, and organometallic chemistry.
13079.04 RUR
Rogers Donald W. Molecular Structure. Understanding Steric and Electronic Effects from Molecular Mechanics peter comba modeling of molecular properties
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
8018.3 RUR
Philip McDonnell Optimal Portfolio Modeling. Models to Maximize Returns and Control Risk in Excel and R peter comba modeling of molecular properties
Optimal Portfolio Modeling is an easily accessible introduction to portfolio modeling for those who prefer an intuitive approach to this discipline. While early chapters provide engaging insights on the statistical properties of markets, this book quickly moves on to illustrate invaluable trading and risk control models based on popular programs such as Excel and the statistical modeling language R. This reliable resource presents modeling formulas that will allow you to effectively maximize the performance, minimize the drawdown, and manage the risk of your portfolio.
5586.52 RUR
McKenna Timothy F.L. Polyolefin Reaction Engineering peter comba modeling of molecular properties
Monomers composed of carbon and hydrogen atoms are the simple building blocks that make up polyolefins – molecules which are extremely useful and which have an extraordinary range of properties and applications. How these monomer molecules are connected in the polymer chain defines the molecular architecture of polyolefins. Written by two world-renowned authors pooling their experience from industry and academia, this book adopts a unique engineering approach using elegant mathematical modeling techniques to relate polymerization conditions, reactor and catalyst type to polyolefin properties. Readers thus learn how to design and optimize polymerization conditions to produce polyolefins with a given microstructure, and how different types of reactors and processes are used to create the different products. Aimed at polymer chemists, plastics technologists, process engineers,the plastics industry, chemical engineers, materials scientists, and company libraries.
11961.73 RUR
Gee David Multiscale Modeling of Particle Interactions. Applications in Biology and Nanotechnology peter comba modeling of molecular properties
Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.
10515.81 RUR
Ian Dunn S. Searching for Molecular Solutions. Empirical Discovery and Its Future peter comba modeling of molecular properties
A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspectsof molecular discovery, as well as the thought processes behind experimental approaches. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
9792.85 RUR
Malcolm Halcrow A. Spin-Crossover Materials. Properties and Applications peter comba modeling of molecular properties
The phenomenon of spin-crossover has a large impact on the physical properties of a solid material, including its colour, magnetic moment, and electrical resistance. Some materials also show a structural phase change during the transition. Several practical applications of spin-crossover materials have been demonstrated including display and memory devices, electrical and electroluminescent devices, and MRI contrast agents. Switchable liquid crystals, nanoparticles, and thin films of spin-crossover materials have also been achieved. Spin-Crossover Materials: Properties and Applications presents a comprehensivesurvey of recent developments in spin-crossover research, highlighting the multidisciplinary nature of this rapidly expanding field. Following an introductory chapter which describes the spin-crossover phenomenon and historical development of the field, the book goes on to cover a wide range of topics including Spin-crossover in mononuclear, polynuclear and polymeric complexes Structure: function relationships in molecular spin-crossover materials Charge-transfer-induced spin-transitions Reversible spin-pairing in crystalline organic radicals Spin-state switching in solution Spin-crossover compounds in multifunctional switchable materials and nanotechnology Physical and theoretical methods for studying spin-crossover materials Spin-Crossover Materials: Properties and Applications is a valuable resource for academic researchers working in the field of spin-crossover materials and topics related to crystal engineering, solid state chemistry and physics, and molecular materials. Postgraduate students will also find this book useful as a comprehensive introduction to the field.
13276.21 RUR
Douglas Edwards Properties peter comba modeling of molecular properties
The world is populated with many different objects, to which we often attribute properties: we say, for example, that grass is green, that the earth is spherical, that humans are animals, and that murder is wrong. We also take it that these properties are things in their own right: there is something in which being green, or spherical, or an animal, or wrong, consists, and that certain scientific or normative projects are engaged in uncovering the essences of such properties. In light of this, an important question arises: what kind of things should we take properties themselves to be? In Properties, Douglas Edwards gives an engaging, accessible, and up-to-date introduction to the many theories of properties available. Edwards charts the central positions in the debate over properties, including the views that properties are universals, that properties are constructed from tropes, and that properties are classes of objects, and assesses the benefits and disadvantages of each. Attempts to deny the existence of properties are also considered, along with ‘pluralist’ proposals, which aim to accommodate the different kinds of properties that are found in various philosophical debates. Properties is the ideal introduction to this topic and will be an invaluable resource for scholars and students wishing to learn more about the important roles that properties have played, and continue to play, in contemporary philosophy.
4268.76 RUR
Jiri Drobny George Polymers for Electricity and Electronics. Materials, Properties, and Applications peter comba modeling of molecular properties
The comprehensive, practical book that explores the principles, properties, and applications of electrical polymers The electrical properties of polymers present almost limitless possibilities for industrial research and development, and this book provides an in-depth look at these remarkable molecules. In addition to traditional applications in insulating materials, wires, and cables, electrical polymers are increasingly being used in a range of emerging technologies. Presenting a comprehensive overview of how electrical polymers function and how they can be applied in the electronics, automotive, medical, and military fields, Polymers for Electricity and Electronics: Materials, Properties, and Applications presents intensive and accessible coverage with a focus on practical applications. Including examples of state-of-the-art scientific issues, the book evaluates new technologies—such as light emitting diodes, molecular electronics, liquid crystals, nanotechnology, optical fibers, and soft electronics—and explains the advantages of conductive polymers as well as their processibility and commercial uses. This book is an essential resource for anyone working with, or interested in, polymers and polymer science. In addition, appendices that detail the electrical properties of selected polymers as well as list additional ASTM and corresponding international testing standards and methods for testing electrical properties are also included.
8741.27 RUR
Stephen Liddle T. Molecular Metal-Metal Bonds. Compounds, Synthesis, Properties peter comba modeling of molecular properties
Systematically covering all the latest developments in the field, this is a comprehensive and handy introduction to metal-metal bonding. The chapters follow a uniform, coherent structure for a clear overview, allowing readers easy access to the information. The text covers such topics as synthesis, properties, structures, notable features, reactivity and examples of applications of the most important compounds in each group with metal-metal bonding throughout the periodic table. With its general remarks at the beginning of each chapter, this is a must-have reference for all molecular inorganic chemists, including PhD students and postdocs, as well as more experienced researchers.
1836.98 RUR
Wiley Properties and Behavior of Polymers, 2 Volume Set peter comba modeling of molecular properties
The book provides comprehensive, up-to-date information on the physical properties of polymers including, viscoelasticity, flammability, miscibility, optical properties, surface properties and more. Containing carefully selected reprints from the Wiley's renowned Encyclopedia of Polymer Science and Technology, this reference features the same breadth and quality of coverage and clarity of presentation found in the original.
35819.47 RUR
Er-Ping Li Electrical Modeling and Design for 3D System Integration. 3D Integrated Circuits and Packaging, Signal Integrity, Power Integrity and EMC peter comba modeling of molecular properties
New advanced modeling methods for simulating the electromagnetic properties of complex three-dimensional electronic systems Based on the author's extensive research, this book sets forth tested and proven electromagnetic modeling and simulation methods for analyzing signal and power integrity as well as electromagnetic interference in large complex electronic interconnects, multilayered package structures, integrated circuits, and printed circuit boards. Readers will discover the state of the technology in electronic package integration and printed circuit board simulation and modeling. In addition to popular full-wave electromagnetic computational methods, the book presents new, more sophisticated modeling methods, offering readers the most advanced tools for analyzing and designing large complex electronic structures. Electrical Modeling and Design for 3D System Integration begins with a comprehensive review of current modeling and simulation methods for signal integrity, power integrity, and electromagnetic compatibility. Next, the book guides readers through: The macromodeling technique used in the electrical and electromagnetic modeling and simulation of complex interconnects in three-dimensional integrated systems The semi-analytical scattering matrix method based on the N-body scattering theory for modeling of three-dimensional electronic package and multilayered printed circuit boards with multiple vias Two- and three-dimensional integral equation methods for the analysis of power distribution networks in three-dimensional package integrations The physics-based algorithm for extracting the equivalent circuit of a complex power distribution network in three-dimensional integrated systems and printed circuit boards An equivalent circuit model of through-silicon vias Metal-oxide-semiconductor capacitance effects of through-silicon vias Engineers, researchers, and students can turn to this book for the latest techniques and methods for the electrical modeling and design of electronic packaging, three-dimensional electronic integration, integrated circuits, and printed circuit boards.
8346.92 RUR