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This work introduces concisely into modern and experimental Surface Physics. Based on many years of teaching experience, the authors present surface-specific properties and complex processes in a plain and descriptive way. Ideal for exam preparation through tasks and comprehension questions.
Surface Physics: Fundamentals and Methods
This work introduces concisely into modern and experimental Surface Physics. Based on many years of teaching experience, the authors present surface-specific properties and complex processes in a plain and descriptive way. Ideal for exam preparation through tasks and comprehension questions.
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48.290000 USD

Surface Physics: Fundamentals and Methods

by M Alexander Schneider, Klaus Heinz, Lutz Hammer, Thomas Fauster
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Transport and Surface Phenomena provides an overview of the key transfers taking place in reactions and explores how calculations of momentum, energy and mass transfers can help researchers develop the most appropriate, cost effective solutions to chemical problems. Beginning with a thorough overview of the nature of transport phenomena, the ...
Transport and Surface Phenomena
Transport and Surface Phenomena provides an overview of the key transfers taking place in reactions and explores how calculations of momentum, energy and mass transfers can help researchers develop the most appropriate, cost effective solutions to chemical problems. Beginning with a thorough overview of the nature of transport phenomena, the book goes on to explore balances in transport phenomena, including key equations for assessing balances, before concluding by outlining mathematical methods for solving the transfer equations. Drawing on the experience of its expert authors, it is an accessible introduction to the field for students, researchers and professionals working in chemical engineering. The book and is also ideal for those in related fields such as physical chemistry, energy engineering, and materials science, for whom a deeper understanding of these interactions could enhance their work.
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189.000000 USD

Transport and Surface Phenomena

by Marek Vecer, Kamil Wichterle
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This concise book introduces and discusses the basic theory of conical intersections with applications in atomic, molecular and condensed matter physics. Conical intersections are linked to the energy of quantum systems. They can occur in any physical system characterized by both slow and fast degrees of freedom - such as ...
Conical Intersections in Physics: An Introduction to Synthetic Gauge Theories
This concise book introduces and discusses the basic theory of conical intersections with applications in atomic, molecular and condensed matter physics. Conical intersections are linked to the energy of quantum systems. They can occur in any physical system characterized by both slow and fast degrees of freedom - such as e.g. the fast electrons and slow nuclei of a vibrating and rotating molecule - and are important when studying the evolution of quantum systems controlled by classical parameters. Furthermore, they play a relevant role for understanding the topological properties of condensed matter systems. Conical intersections are associated with many interesting features, such as a breakdown of the Born-Oppenheimer approximation and the appearance of nontrivial artificial gauge structures, similar to the Aharonov-Bohm effect. Some applications presented in this book include - Molecular Systems: some molecules in nonlinear nuclear configurations undergo Jahn-Teller distortions under which the molecule lower their symmetry if the electronic states belong to a degenerate irreducible representation of the molecular point group. - Solid State Physics: different types of Berry phases associated with conical intersections can be used to detect topologically nontrivial states of matter, such as topological insulators, Weyl semi-metals, as well as Majorana fermions in superconductors. - Cold Atoms: the motion of cold atoms in slowly varying inhomogeneous laser fields is governed by artificial gauge fields that arise when averaging over the fast internal degrees of freedom of the atoms. These gauge fields can be Abelian or non-Abelian, which opens up the possibility to create analogs to various relativistic effects at low speed.
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73.490000 USD

Conical Intersections in Physics: An Introduction to Synthetic Gauge Theories

by Patrik OEhberg, Erik Sjoeqvist, Jonas Larson
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Complexity and Complex Thermoeconomic Systems describes the properties of complexity and complex thermo-economic systems as the consequence of formulations, definitions, tools, solutions and results consistent with the best performance of a system. Applying to complex systems contemporary advanced techniques, such as static optimization, optimal control, and neural networks, this book ...
Complexity and Complex Thermo-Economic Systems
Complexity and Complex Thermoeconomic Systems describes the properties of complexity and complex thermo-economic systems as the consequence of formulations, definitions, tools, solutions and results consistent with the best performance of a system. Applying to complex systems contemporary advanced techniques, such as static optimization, optimal control, and neural networks, this book treats the systems theory as a science of general laws for functional integrities. It also provides a platform for the discussion of various definitions of complexity, complex hierarchical structures, self-organization examples, special references, and historical issues. This book is a valuable reference for scientists, engineers and graduated students in chemical, mechanical, and environmental engineering, as well as those in physics, ecology and biology, helping them better understand the complex thermodynamic systems and enhance their technical skills in research.
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262.500000 USD

Complexity and Complex Thermo-Economic Systems

by Stanislaw Sieniutycz
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A compulsively readable account of the extraordinary people, battling internal demons and external adversaries, who discovered the laws of thermodynamics and the science of heat, and brought about a scientific revolution. Einstein's Fridge tells the story of how scientists uncovered the least known and yet most consequential of all the ...
Einstein's Fridge: The Science of Fire, Ice and the Universe
A compulsively readable account of the extraordinary people, battling internal demons and external adversaries, who discovered the laws of thermodynamics and the science of heat, and brought about a scientific revolution. Einstein's Fridge tells the story of how scientists uncovered the least known and yet most consequential of all the sciences, and learned to harness the power of heat and ice. The laws of thermodynamics govern everything from the behaviour of atoms to that of living cells, from the engines that power our world to the black hole at the centre of our galaxy. Not only that, but thermodynamics explains why we must eat and breathe, how the lights come on, and ultimately how the universe will end. The people who decoded its laws came from every branch of the sciences - they were engineers, physicists, chemists, biologists, cosmologists and mathematicians. Their discoveries, set over two hundred years, kick-started the industrial revolution, changed the course of world wars and informed modern understanding of black holes. This book captures the thrill of discovery and the power of revolutionary science to change the world forever.
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This book introduces the synthesis, electrochemical and photochemical properties, and device applications of metallo-supramolecular polymers, new kinds of polymers synthesized by the complexation of metal ions and organic ditopic ligands. Their electrochemical and photochemical properties are also interesting and much different from conventional organic polymers. The properties come from the ...
Metallo-Supramolecular Polymers: Synthesis, Properties, and Device Applications
This book introduces the synthesis, electrochemical and photochemical properties, and device applications of metallo-supramolecular polymers, new kinds of polymers synthesized by the complexation of metal ions and organic ditopic ligands. Their electrochemical and photochemical properties are also interesting and much different from conventional organic polymers. The properties come from the electronic intra-chain interaction between the metal ions and the ligands in the polymer chain. In this book, for example, the electrochromism that the Fe(II)-based metallo-supramolecular polymer exhibits is described: the blue color of the polymer film disappears by the electrochemical oxidation of Fe(II) ions to Fe(III) and the colorless film becomes blue again by the electrochemical reduction of Fe(III) to Fe(II). The electrochromism is explained by the disappearance/appearance of the metal-to-ligand charge transfer absorption. The electrochromic properties are applicable to display devices such as electronic paper and smart windows.
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89.240000 USD
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This Brief presents an historical investigation into the reaction between ferric ions and thiocyanate ions, which has been viewed in different ways throughout the last two centuries. Historically, the reaction was used in chemical analysis and to highlight the nature of chemical reactions, the laws of chemistry, models and theories ...
The Iron(III) Thiocyanate Reaction: Research History and Role in Chemical Analysis
This Brief presents an historical investigation into the reaction between ferric ions and thiocyanate ions, which has been viewed in different ways throughout the last two centuries. Historically, the reaction was used in chemical analysis and to highlight the nature of chemical reactions, the laws of chemistry, models and theories of chemistry, chemical nomenclature, mathematics and data analysis, and instrumentation, which are important ingredients of what one might call the nature of chemistry. Using the history of the iron(III) thiocyanate reaction as a basis, the book's main objective is to explore how chemistry develops its own knowledge base; how it assesses the reliability of that base; and how some important tools of the trade have been brought to bear on a chemical reaction to achieve understanding, a worthwhile goal of any historical investigation.
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62.990000 USD

The Iron(III) Thiocyanate Reaction: Research History and Role in Chemical Analysis

by Kevin C. de Berg
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This book continues the series Electroanalytical Chemistry: A Series of Advances, designed to provide authoritative reviews on recent developments and applications of well-established techniques in the field of electroanalytical chemistry. Electroanalytical techniques are used in a wide range of studies, including electro-organic synthesis, fuel cell studies, and radical ion formation. ...
Electroanalytical Chemistry: A Series of Advances: Volume 26
This book continues the series Electroanalytical Chemistry: A Series of Advances, designed to provide authoritative reviews on recent developments and applications of well-established techniques in the field of electroanalytical chemistry. Electroanalytical techniques are used in a wide range of studies, including electro-organic synthesis, fuel cell studies, and radical ion formation. Each chapter in this volume provides comprehensive coverage of a subject area, including detailed descriptions of techniques, derivations of fundamental equations, and discussions of important related articles. The primary topics include: Nanoscale scanning electrochemical microscopy Electrochemical applications of scanning ion conductance microscopy Electrode surface modification using diazonium salts Each volume in the series provides the necessary background and a starting point for graduate students undertaking related research projects. They are also of particular interest to practicing analytical chemists concerned with learning and applying electroanalytical techniques and the fundamental theoretical principles upon which these techniques are based.
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Crystallography is one of the most multidisciplinary sciences, with roots in fields as varied as mathematics, physics, chemistry, biology, materials science, computation and earth and planetary science. The structural knowledge gained from crystallography has been instrumental in acquiring new levels of understanding in numerous scientific areas. Perspectives in Crystallography provides ...
Perspectives in Crystallography
Crystallography is one of the most multidisciplinary sciences, with roots in fields as varied as mathematics, physics, chemistry, biology, materials science, computation and earth and planetary science. The structural knowledge gained from crystallography has been instrumental in acquiring new levels of understanding in numerous scientific areas. Perspectives in Crystallography provides an overview of the current state of the field, reviews its historical origins and explains how crystallography contributes to the sustainability of life. This book resonates with the recent United Nations and UNESCO International Year of Crystallography, a celebration of its achievements and importance, undertaken with the International Union of Crystallography. The author of this book is the editor in chief of Crystallography Reviews, where some of the contents have been previously published. Here, subjects of interest to specialists and non-specialists have been brought together in a single source. The book opens with a description of the ways to explain crystallography to diverse general audiences. It also addresses various topics in crystallography, including: The evolution and importance of synchrotron radiation to crystallography The structural chemistry and biology of colouration in marine crustacea Predicting protonation states of proteins versus crystallographic experimentation The book then offers a projection of crystal structure analysis in the next 100 years and concludes by emphasizing the societal impacts of crystallography that allow for sustainability of life. Perspectives in Crystallography offers a threefold look into the past, present and long-term development and relevance of crystal structure analysis. It is concerned not only with the state of the field, but with its role in the perpetuation of life on earth. As such, it is a reference of vital interest to a bro
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78.700000 USD
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Computational Methods for Complex Liquid-Fluid Interfaces highlights key computational challenges involved in the two-way coupling of complex liquid-fluid interfaces. The book covers a variety of cutting-edge experimental and computational techniques ranging from macro- to meso- and microscale approaches (including pivotal applications). As examples, the text: defines the most important interfacial ...
Computational Methods for Complex Liquid-Fluid Interfaces
Computational Methods for Complex Liquid-Fluid Interfaces highlights key computational challenges involved in the two-way coupling of complex liquid-fluid interfaces. The book covers a variety of cutting-edge experimental and computational techniques ranging from macro- to meso- and microscale approaches (including pivotal applications). As examples, the text: defines the most important interfacial quantities and their experimental investigations, providing theoretical background and detailed solutions, describes vital techniques used in interfacial flow problems, such as modern meshless numerical methods and conventional computational fluid dynamics methods, and discusses the technicalities of correctly using the computational methods developed for interfacial flows, as well as the simulation of interesting interfacial flow physics. Edited and authored by leading scientists and researchers, Computational Methods for Complex Liquid-Fluid Interfaces offers an authoritative and state-of-the-art overview of computational methodologies and simulation techniques for the quantification of interfacial quantities.
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78.700000 USD

Computational Methods for Complex Liquid-Fluid Interfaces

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There are essentially two theories of solutions that can be considered exact: the McMillan-Mayer theory and Fluctuation Solution Theory (FST). The first is mostly limited to solutes at low concentrations, while FST has no such issue. It is an exact theory that can be applied to any stable solution regardless ...
Fluctuation Theory of Solutions: Applications in Chemistry, Chemical Engineering, and Biophysics
There are essentially two theories of solutions that can be considered exact: the McMillan-Mayer theory and Fluctuation Solution Theory (FST). The first is mostly limited to solutes at low concentrations, while FST has no such issue. It is an exact theory that can be applied to any stable solution regardless of the number of components and their concentrations, and the types of molecules and their sizes. Fluctuation Theory of Solutions: Applications in Chemistry, Chemical Engineering, and Biophysics outlines the general concepts and theoretical basis of FST and provides a range of applications described by experts in chemistry, chemical engineering, and biophysics. The book, which begins with a historical perspective and an introductory chapter, includes a basic derivation for more casual readers. It is then devoted to providing new and very recent applications of FST. The first application chapters focus on simple model, binary, and ternary systems, using FST to explain their thermodynamic properties and the concept of preferential solvation. Later chapters illustrate the use of FST to develop more accurate potential functions for simulation, describe new approaches to elucidate microheterogeneities in solutions, and present an overview of solvation in new and model systems, including those under critical conditions. Expert contributors also discuss the use of FST to model solute solubility in a variety of systems. The final chapters present a series of biological applications that illustrate the use of FST to study cosolvent effects on proteins and their implications for protein folding. With the application of FST to study biological systems now well established, and given the continuing developments in computer hardware and software increasing the range of potential applications, FST provides a rigorous and useful approach for understanding a wide array of solution properties. This book outlines those approaches, and their advantages, ac
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78.700000 USD
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Microbially derived surfactants, called biosurfactants, provide a promising alternative to synthetic surfactants, displaying better availability and being generally nontoxic and biodegradable. Biosurfactants also have the advantage of diverse chemical properties and the potential to be less expensive. They demonstrate properties such as reducing surface tension, stabilizing emulsions, and promoting foaming. ...
Biosurfactants: Research Trends and Applications
Microbially derived surfactants, called biosurfactants, provide a promising alternative to synthetic surfactants, displaying better availability and being generally nontoxic and biodegradable. Biosurfactants also have the advantage of diverse chemical properties and the potential to be less expensive. They demonstrate properties such as reducing surface tension, stabilizing emulsions, and promoting foaming. With many promising research results, a consolidated resource of biosurfactant knowledge is needed to build a framework for further development of applications. Biosurfactants: Research Trends and Applications fills this need, covering the latest research and development on relevant aspects of biological, biochemical, and physical processes and applications of biosurfactants. This book reviews current knowledge and the latest advances, strategies for improving production processes, and the status of biosynthetic and genetic regulation mechanisms for microbial surfactants. Chapters present research findings on specific biosurfactants, such as high surface activity rhamnolipids, yeast-derived sophorolipids, lipopeptides, and trehalose lipids that have potential for environmental, industrial, and medical uses. The book also describes sources and characteristics of marine microbial biosurfactants, biosurfactants made from food processing by-products and biosurfactants used in the food industry, and biosurfactants for green synthesis of nanoparticles. The text presents applications of biosurfactants in environmental industries and examines interactions between metals and various classes of biosurfactants and related metal remediation technologies. The final chapter reviews the state of the art of biosurfactants and their applications, and proposes approaches to overcome any challenges.
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78.700000 USD
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Colloid and interface science dealt with nanoscale objects for nearly a century before the term nanotechnology was coined. An interdisciplinary field, it bridges the macroscopic world and the small world of atoms and molecules. Colloid and Interface Chemistry for Nanotechnology is a collection of manuscripts reflecting the activities of research ...
Colloid and Interface Chemistry for Nanotechnology
Colloid and interface science dealt with nanoscale objects for nearly a century before the term nanotechnology was coined. An interdisciplinary field, it bridges the macroscopic world and the small world of atoms and molecules. Colloid and Interface Chemistry for Nanotechnology is a collection of manuscripts reflecting the activities of research teams that have been involved in the networking project Colloid and Interface Chemistry for Nanotechnology (2006-2011), Action D43, the European Science Foundation. The project was a part of the intergovernmental framework for Cooperation in Science and Technology (COST), allowing the coordination of nationally funded research across Europe. With contributions by leading experts, this book covers a wide range of topics. Chapters are grouped into three sections: Nanoparticle Synthesis and Characterization, New Experimental Tools and Interpretation, and Nanocolloidal Dispersions and Interfaces. The topics covered belong to six basic research areas: (1) The synthesis of nanostructured materials of well-defined size and function; (2) Analytical methods and tools for control and characterization of synthesized nanomaterials; (3) Self-assembly of nanomaterials, such as microemulsions and micelles, and their applications; (4) Bioinspired nanostructured materials-structure, properties, and applications; (5) Design of active, soft functional interfaces with unique properties for sensors, catalysts, and biomedical assays; and (6) Nanoscale elements in soft nanoscale devices for applications in analytical and biomedical sciences. This book describes highlights in nanotechnology based on state-of-the-art principles in colloid and interface science, demonstrating how great progress in the various branches of nanotechnology can be achieved. The application of these principles allows for the development of new experimental and theoretical tools.
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78.700000 USD
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Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a ...
Molecular Modeling for the Design of Novel Performance Chemicals and Materials
Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and practitioners are often seized with the question: How do I leverage these tools to develop novel materials or chemicals in my industry? Molecular Modeling for the Design of Novel Performance Chemicals and Materials answers this important question via a simple and practical approach to the MM paradigm. Using case studies, it highlights the importance and usability of MM tools and techniques in various industrial applications. The book presents detailed case studies demonstrating diverse applications such as mineral processing, pharmaceuticals, ceramics, energy storage, electronic materials, paints, coatings, agrochemicals, and personal care. The book is divided into themed chapters covering a diverse range of industrial case studies, from pharmaceuticals to cement. While not going too in-depth into fundamental aspects, the book covers almost all paradigms of MM, and references are provided for further learning. The text includes more than 100 color illustrations of molecular models.
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78.700000 USD
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Surfactants play a variety of critical roles in tribology. In addition to controlling friction and wear, they also allow for control of a wide range of properties of lubricants, such as emulsification/demulsification, bioresistance, oxidation resistance, and rust/corrosion prevention. This book explains recent advances in the role of surfactants within the ...
Surfactants in Tribology, Volume 1
Surfactants play a variety of critical roles in tribology. In addition to controlling friction and wear, they also allow for control of a wide range of properties of lubricants, such as emulsification/demulsification, bioresistance, oxidation resistance, and rust/corrosion prevention. This book explains recent advances in the role of surfactants within the purview of tribology, with an emphasis on product development. Includes Theoretical, Experimental, and Technological Advances Providing a unique exploration of the nexus between surfactants and tribology, this text represents the cumulative expertise of leading scientists and technologists engaged in the study of surfactants in variegated tribological phenomena. Organized thematically for easy reference, the volume covers- * Fundamentals of surfactants * Tribological aspects of micro- and nanodevices, including micro-patterns of two-dimensional asperity arrays, MEMS, NEMS, and magnetic recording devices * Self-assembled monolayers and ultra-thin films relevant to tribological phenomena, including aspects of organosilane monolayers, ultrathin self-assembled films, super-hydrophobic films, MoDTC/ZDDP tribofilms, and surfactant-coated copper nanoparticles * Polymeric and biobased surfactants, covering various tribological aspects related to polymeric gels, elastomers sliding against hydrophilic and hydrophobic surfaces, agriculture-based amphiphiles, vegetable oils, and biobased greases * Surfactant adsorption and aggregation relevant to tribological phenomena, such as the design of surfactants for lubrication, aqueous non-ionic surfactant-based lubricants, adsorption and aggregation kinetics, surfactant and polymer nanostructures, a
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78.700000 USD
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As a result of new statistical and mathematical approaches, improved visualization tools, and recognition by international regulatory groups, quantitative structure-activity relationships (QSARs) now play important roles in pharmacology for the design of new drugs as well as in toxicology and ecotoxicology for hazard identification and risk assessment. Providing up-to-date coverage ...
Three Dimensional QSAR: Applications in Pharmacology and Toxicology
As a result of new statistical and mathematical approaches, improved visualization tools, and recognition by international regulatory groups, quantitative structure-activity relationships (QSARs) now play important roles in pharmacology for the design of new drugs as well as in toxicology and ecotoxicology for hazard identification and risk assessment. Providing up-to-date coverage of the field, Three Dimensional QSAR: Applications in Pharmacology and Toxicology presents the most recent QSAR methods and illustrates their scope, advantages, and limitations. Part I The first part of the book addresses CoMFA and related methods, such as CoMSIA, FLUFF, SOMFA. It also describes shape-, surface-, and volume-based approaches, including MSA, excluded volume, LIV, HASL, receptor surface model, COMPASS, and CoMSA. Part II Focusing on methods that use 3D information, the second part covers autocorrelation methods, such as GRIND; similarity-based methods, including similarity matrices and quantum similarity indices; and quantitative spectroscopic data-activity relationships. Some applications in data mining are also explored. Part III The third part deals with post-3D models. The authors discuss the adaptation of the receptor and simultaneous presence of several conformers or solvation mechanisms. Part IV The final part presents receptor-related approaches as well as docking and free energy calculations, which are treated at various levels. This part concerns the extensive sampling of phase space and approximate methods, such as linear interaction energy, Poisson-Boltzmann, and generalized Born models. A case study covering several parallel approaches is also developed. An appendix offers the basic principles of modeling and statistical tools routinely required in QSAR methodologies, includi
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78.700000 USD
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Since the turn of the 21st century, the field of electron molecule collisions has undergone a renaissance. The importance of such collisions in applications from radiation chemistry to astrochemistry has flowered, and their role in industrial processes such as plasma technology and lighting are vital to the advancement of next ...
Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces
Since the turn of the 21st century, the field of electron molecule collisions has undergone a renaissance. The importance of such collisions in applications from radiation chemistry to astrochemistry has flowered, and their role in industrial processes such as plasma technology and lighting are vital to the advancement of next generation devices. Furthermore, the development of the scanning tunneling microscope highlights the role of such collisions in the condensed phase, in surface processing, and in the development of nanotechnology. Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces highlights recent progress in the theory and experiment of electron-molecule collisions, providing a detailed review of the current state of knowledge of electron molecule scattering-theoretical and experimental-for the general physicist and chemist interested in solving practical problems. In few other branches of science is the collaboration between theorists and experimentalists so topical. Covering advancements in practical problems, such as those met in plasma physics, microelectronics, nanolithography, DNA research, atmospheric chemistry, and astrochemistry, this book describes the formal general scattering theory and description of the experimental setup at a level the interested non-expert can appreciate.
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78.700000 USD
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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 ...
The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems
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 properties of biological systems and molecular clusters. Providing a unique and accessible approach, The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems is for those researchers eager to obtain useful information from electronic structure calculations of large systems, and for those who wish to know what can be elucidated with the calculations at present and in the near future. The text emphasizes the practical aspects, with as little mathematical detail as possible and in language that is easy to understand. The free modeling software Facio, in which FMO-related functions are implemented, is provided on the accompanying CD-ROM, which also provides input file samples, usage hints, annotated output from typical calculations, easy-to-follow tutorial material, and AppliGuide movies that show the sequence of mouse operations for data processing. The book encourages readers to perform their own calculations - describing the features of the freely available FMO programs (GAMESS and ABINIT-MP) and reviewing many successful applications of the FMO method to practical problems. Filled with practical advice from the inventors of the method and from world-renowned contributors, this reference provides general scientists with the foundation required to use FMO computational methods in a wide range of biomolecular applications, including drug design, protein-ligand binding, enzyme reactivity, and light-driven processes. Developers interested in extending FMO capabilities or in advancing their own methods will find sufficient information a
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78.700000 USD
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The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly ...
Industrial Applications of Molecular Simulations
The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the future, the question remains as to how these methods can be further integrated into the R&D value chain, bridging the gap from engineering to manufacturing. Using successful case studies as a framework, Industrial Applications of Molecular Simulations demonstrates the capability of molecular modeling to tackle problems of industrial relevance. This book presents a wide range of various modeling techniques, including methods based on quantum or classical mechanics, molecular dynamics, Monte Carlo simulations, etc. It also explores a wide range of materials, from soft materials such as polymeric blends widely used in the chemical industry to hard or inorganic materials such as glasses and alumina. Features Demonstrates how modeling can solve everyday problems for scientists in industry Provides a broad overview of theoretical approaches Presents a wide range of applications in areas such as materials research, catalysis, pharmaceutical development and electronics Emphasizes the relationship between theory and experiments
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78.700000 USD
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Computational modeling can provide a wealth of insight into how energy flow in proteins mediates protein function. Computational methods can also address fundamental questions related to molecular signaling and energy flow in proteins. Proteins: Energy, Heat and Signal Flow presents state-of-the-art computational strategies for studying energy redistribution, signaling, and heat ...
Proteins: Energy, Heat and Signal Flow
Computational modeling can provide a wealth of insight into how energy flow in proteins mediates protein function. Computational methods can also address fundamental questions related to molecular signaling and energy flow in proteins. Proteins: Energy, Heat and Signal Flow presents state-of-the-art computational strategies for studying energy redistribution, signaling, and heat transport in proteins and other molecular machines. The first of four sections of the book address the transport of energy in molecular motors, which function through a combination of chemically driven large-scale conformational changes and charge transport. Focusing on vibrational energy flow in proteins and nanostructures, the next two sections discuss approaches based on molecular dynamics simulations and harmonic analysis. By exploring the flow of free energy in proteins, the last section examines the conformational changes involved in allosteric transitions and the role of coupled protein-solvent dynamics in conformational changes. It also presents computational approaches developed to locate pathways between protein structures. The integrated presentation of this comprehensive, up-to-date volume emphasizes the interrelations between disparate computational approaches that have contributed to our understanding of energy flow in proteins and its role in protein function. By defining the forefront of research in this area, the book delineates the current challenges and opportunities in developing novel methods and applications for the evolving study of energy flow in molecular machines and nanomaterials.
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78.700000 USD
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Liquid crystals allow us to perform experiments that provide insight into fundamental problems of modern physics, such as phase transitions, frustration, elasticity, hydrodynamics, defects, growth phenomena, and optics. Smectic and Columnar Liquid Crystals: Concepts and Physical Properties Illustrated by Experiments is a result of personal research and of the graduate ...
Smectic and Columnar Liquid Crystals: Concepts and Physical Properties Illustrated by Experiments
Liquid crystals allow us to perform experiments that provide insight into fundamental problems of modern physics, such as phase transitions, frustration, elasticity, hydrodynamics, defects, growth phenomena, and optics. Smectic and Columnar Liquid Crystals: Concepts and Physical Properties Illustrated by Experiments is a result of personal research and of the graduate lectures given by the authors at the Ecole Normale Superieure de Lyon and the University of Paris VII, respectively. The book examines lamellar (smectic) and columnar liquid crystals, which, in addition to orientational order, possess 1D, 2D or 3D positional order. This volume illustrates original physical concepts using methodically numerous experiments, theoretical developments, and diagrams. Topics include rheology and plasticity, ferroelectricity, analogies with superconductors, hexatic order and 2D-melting, equilibrium shapes, facetting, and the Mullins-Sekerka instability, as well as phase transitions in free films and membrane vibrations. Nematic and cholesteric liquid crystals are covered by the authors in a separate volume entitled Nematic and Cholesteric Liquid Crystals: Concepts and Physical Properties Illustrated by Experiments. Smectic and Columnar Liquid Crystals is an ideal introduction and a valuable source of reference for theoretical and experimental studies of advanced students and researchers in liquid crystals, condensed matter physics, and materials science.
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78.700000 USD
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The premier symposium on Surfactants in Tribology, held in Seoul in 2006, was an enormously successful event that generated a high level of interest in the topic, leading to the publication of the first volume in this series in 2008. The tremendous response was echoed at the follow-up symposium in ...
Surfactants in Tribology, Volume 2
The premier symposium on Surfactants in Tribology, held in Seoul in 2006, was an enormously successful event that generated a high level of interest in the topic, leading to the publication of the first volume in this series in 2008. The tremendous response was echoed at the follow-up symposium in Berlin that same year, and leading researchers, many of whom participated in the second event, were invited to submit chapters for Surfactants in Tribology, Volume Two. Reflecting the cumulative wisdom of a contingent of researchers, this text explores all-new topics critical to the future of tribology. Topics discussed in this second volume include: Properties of silane, thio, phthalocyanine and phospholipid films, membranes, grafts, and SAMs on gold, silica, and graphite substrates Water/oil emulsions used as oil-well drilling fluids Properties of organized surfactant assemblies and aqueous solutions of alkyl polyglucosides Surfactants as demulsifiers in enhanced crude oil production from old wells Oil/water emulsions with biobased surfactants The synthesis of novel biobased materials Properties of biobased lubricants and surfactants Modeling and statistical predictive methods in the development of biobased lubricants The fundamentals of surface chemistry at tribological interfaces The role of surface science in magnetic recording tribology Antiwear and friction modifier compounds for automotive applications Surfactants as antimicrobial agents in lubricants Tribological phenomena are of significant importance in a host of industries ranging from simple products to high-tech devices. This volume and its predecessor reflect the sage contributions of a cadre of experts who report on current possibilities and future potential for harnessing sur
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