This book explores the molecular modeling, enabling the nonspecialist to appreciate the power as well as the limitations of the computational tools available and giving a background to the methods used and how they were developed. It also provides examples of how molecular modeling has been used to address chemical questions commonly asked by the experimental chemist, and includes practical examples and case studies. 143 illus.
This book is the eighth volume of the proceedings of the 4th GeoShanghai International Conference that was held on May 27 - 30, 2018. This book, entitled Ground Improvement and Geosynthetics”, presents the latest information on the new technologies and practical applications in various geotechnical engineering projects and advancements on ground improvement and geosynethetics. This volume presents detailed design procedures and examples to demonstrate the applications of the latest ground improvement technologies and innovative geosynethetics in geotechnical engineering. Topics include pile/column technology as foundations, retaining structures, or embankment supports, physical and chemical technologies for soil stabilization and ground improvement, geosynthetic reinforcement for roads, slopes, retaining walls, and foundations. Each of the papers included in this book received at least two positive peer reviews. The editors would like to express their sincerest appreciation to all of the anonymous reviewers all over the world, for their diligent work.
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
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
The remarkable breadth of modern molecular mechanics is covered in this textbook, developed for an undergraduate or first-time course on molecular mechanics. With applications ranging from drug design to homogeneous transition metal catalysis, the book implements a case-study approach designed to give readers exposure to the relevance and utility of molecular mechanics, as well as the opportunity to study a particular problem and its solution in depth.
Milady has evolved for over 85 years to become what it is today, the cornerstone of beauty and wellness education. We are very excited and proud to announce the latest edition of Milady Standard Cosmetology, the most commonly used resource in cosmetology education. For decades since our first textbook published, it has been our commitment to provide students with the foundation in the principles and skills needed to master the science and art of cosmetology, and with this latest version that commitment has not waivered. For the new edition, celebrity stylist Ted Gibson served as Creative Director on the project. The result is a brilliant new design with over 750 new photos and a gorgeous layout, providing a visually stunning resource to engage today's learner. We also recruited a team of twelve authors, made up of top professionals and educators in the industry, to provide the most current information on concepts and techniques. During our extensive peer review and development process, we were asked for a resource that placed emphasis on essential content needed for licensure success, and we feel confident that we delivered. Milady Standard Cosmetology will continue to be a source of education that students can count on, not only while in school, but throughout their careers. Important Notice: Media content referenced within the product description or the product text may not be available in the ebook version.
The study of energetic materials is emerging from one primarily directed toward practical interests to an advanced area of fundamental research, where state-of-the-art methods and theory are used side by side with modern synthetic methods. This timely book integrates the recent experimental, synthetic, and theoretical research of energetic materials. Editors George Olah and David Squire emphasize the importance of structure and mechanism in determining properties and performances. They also explore new spectrometric methods and synthetic approaches in this useful reference. Discusses structural analysis by x-ray crystallography Explains chemical dynamics by photofragmentation translational spectroscopy Covers kinetic analysis by ultrafast absorption and emission spectroscopy Details syntheses of polycyclic caged amines, fuel additives, and polynitro compounds Examines computer-aided design of monopropellants Includes contributions by two Nobel laureates and five members of the National Academy of Sciences
Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
A quick and simple guide to the music business for those on the verge of taking their first steps into the industry. A Newcomer's Guide to the Music Business is a must-have for anyone - who has little or no prior industry experience - wishing to pursue a career in music. The book assists newbies in avoiding the basic mistakes the majority make when entering the music business, while also familiarizing prospective newcomers with industry customs, practices, and the type of working environment they can expect to encounter.
Aspiring entrepreneurs learn the ins and outs of starting their own successful business in one of today's hottest industries: beauty. From laying the groundwork for starting a small business and establishing themselves in the marketplace to holding their grand opening and developing service policies, this step-by-step guide takes beauty enthusiasts from big-picture plans to day-to-day dealings at their new spa and salon. Soon-to-be business owners also get an insider's perspective from beauty industry practitioners and experts who offer tips, advice, examples, and even their contact information to add to the many resources provided.
Gas sensor products are very often the key to innovations in the fields of comfort, security, health, environment, and energy savings. This compendium focuses on what the research community labels as solid state gas sensors, where a gas directly changes the electrical properties of a solid, serving as the primary signal for the transducer. It starts with a visionary approach to how life in future buildings can benefit from the power of gas sensors. The requirements for various applications, such as for example the automotive industry, are then discussed in several chapters. Further contributions highlight current trends in new sensing principles, such as the use of nanomaterials and how to use new sensing principles for innovative applications in e.g. meteorology. So as to bring together the views of all the different groups needed to produce new gas sensing applications, renowned industrial and academic representatives report on their experiences and expectations in research, applications and industrialisation.
This book concerns particles that are used as responses in conversations. It provides much needed methodological tools for analyzing the use of response particles in languages, while its particular focus is Finnish. The book focuses on two Finnish particles, nii(n) and joo, which in some of their central usages have "yeah" and "yes" as their closest English counterparts. The two particles are discussed in a number of sequential and activity contexts, including their use as answers to yes-no questions and directives, as responses to a stance-taking by the prior speaker, and in the midst of an extended telling by the co-participant. It will be shown how there is a fine-grained division of labor between the particles, having to do with the epistemic and affective character of the talk and the continuation vs. closure-relevance of the activity. The book connects the interactional usages of the particles with what is known about their historical origins, and in this fashion it is also of interest to linguists doing research on processes of grammaticalization and lexicalization.
Energetic materials are distinguished from other materials primarily by the fact that rapid, exothermic reactions can be induced with the release of gaseous products. This complex phenomenon cuts across many boundaries of chemistry (synthesis, kinetics, thermodynamics, spectroscopy, quantum and molecular dynamics calculations, etc.) and engineering physics (shock and detonation waves, hydrodynamics, fracture and solid mechanics, defects, etc.). This volume offers the latest chemistry advancements in understanding the complex dynamic processes in these materials in the condensed phase. The focus is on fundamental research into the rates and pathways of rapid exothermic reactions, product specification, diagnostic methods, molecular processes of energy transfer, and molecular processes at extreme pressure and temperature. Many novel materials are discussed.
Crystal engineering is a rapidly emerging, cross-disciplinary field that seeks to develop protocols for predicting and controlling the structure and thus the functional properties of solids. Such properties range from the mundane (colour, melting point) to those of great relevance to materials scientists and physicists (polarity, porosity, conductivity). The emergence of the field can be attributed to a corresponding rise in the importance of supramolecular chemistry and its relevance to areas as diverse as polymorphism in pharmaceuticals, nonlinear optics and high Tc superconductors. The crystal engineer needs an understanding of bonding theory, computational chemistry, applied spectroscopy, structural methods, synthesis strategies, and applications of custom-designed solids. This book contains chapters on all these topics, written by internationally recognised experts, in addition to contributions from some of the leading researchers in the field. Readership: Synthetic chemists, solid-state chemists, physicists, pharmaceutical researchers interested in polymorphism and the bulk properties of solids; theoreticians interested in the prediction of bulk properties. The book can serve both as an introduction to the field and an advanced research reference.
Increasingly useful in materials research and development, molecular modeling is a method that combines computational chemistry techniques with graphics visualization for simulating and predicting the structure, chemical processes, and properties of materials. Molecular Modeling Techniques in Materials Science explores the impact of using molecular modeling for various simulations in industrial settings. It provides an overview of commonly used methods in atomistic simulation of a broad range of materials, including oxides, superconductors, semiconductors, zeolites, glass, and nanomaterials. The book presents information on how to handle different materials and how to choose an appropriate modeling method or combination of techniques to better predict material behavior and pinpoint effective solutions. Discussing the advantages and disadvantages of various approaches, the authors develop a framework for identifying objectives, defining design parameters, measuring accuracy/accounting for error, validating and assessing various data collected, supporting software needs, and other requirements for planning a modeling project. The book integrates the remarkable developments in computation, such as advanced graphics and faster, cheaper workstations and PCs with new advances in theoretical techniques and numerical algorithms. Molecular Modeling Techniques in Materials Science presents the background and tools for chemists and physicists to perform in-silico experiments to understand relationships between the properties of materials and the underlying atomic structure. These insights result in more accurate data for designing application-specific materials that withstand real process conditions, including hot temperatures and high pressures.
Milady’s Standard Textbook of Cosmetology has led the way in cosmetology education for 80 years by changing to meet the evolving needs of students and the market. Having been developed after extensive analysis by educational design experts, this textbook exhibits the most sophisticated methods for relaying information, stimulating thought, aiding comprehension, and enhancing retention. Milady’s Standard Cosmetology provides students with the information they will need to pass the licensure exams as well as the most contemporary techniques to ensure success once they are on the job. This revision features a fresh new layout, reorganized chapters, and new photography and illustrations to provide an open, easy-to-follow format that students need with the reliability that is the hallmark of Milady. This edition of Milady’s Standard Cosmetology is organized into six parts containing 32 chapters, each written by an industry expert in the field, creating an immediate connection to the professional world. New information on many subjects, including sanitation and infection control, and haircoloring has been included. The result is the most reliable cosmetology textbook available, one that covers all essential information in a contemporary, easy-to-use manner. While Milady’s Standard Cosmetology is the center of the curriculum, students and educators have a wide range of supplements from which to choose. All supplements have been revised and updated to complement the new edition of the textbook. This book will serve as a valuable guide, and students will refer to it again and again throughout their career! Important Notice: Media content referenced within the product description or the product text may not be available in the ebook version.
Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-precision approaches (which often has the advantage of speed in providing results). This book covers both approaches. It is augmented by a wide-range of applications of the above methods to fuel combustion, unimolecular and bimolecular reactions, isomerization, polymerization, and to emission control of nitrogen oxides. An excellent resource for academics and industry members in physical chemistry, chemical engineering, and related fields.
This Annual Tax Mess Organizer is for massage therapists, estheticians and spa owners who are self-employed or small business owners, and have not kept itemized income and expense records as the year went along. For some it's their first business tax season; others have run their business this way for years. Now that April 15th is getting close, they're stressed out, and forced to stop working to deal with a disorganized pile of receipts and paperwork sitting between them and that approaching tax deadline. This organizer explains how to get on top of that paperwork quickly, so you can satisfy the IRS and get back to work. You'll learn a simple method for organizing small business receipts, and exactly what the IRS expects of a self-employed person. Depending on how big of a mess you start with, you should be ready for the tax professional in 1-4 hours.Step by step, the organizer walks you through the sorting of your own receipts, explaining what the IRS expects, helping you to get everything organized and ready for your tax preparer. No computer necessary.For those who have always done their own personal tax return, there is even a chapter on how to fill out the small business Schedule C tax form. It walks you through this form, line by line, showing you where to post all of the information you've gathered. Self employment taxes, 1040 entries, and other deductions for the self employed are also explained.
(Book). From the author's first glimpse of a magical recording studio in the mid-1960s up through a busy career that continues to the present day, this rollicking story can only be told by those that werethere. As the young tape operator on sessions for The Rolling Stones, Jimi Hendrix, and Joe Cocker at the famed Olympic Sound Studios in London, Phill learned the ropes from experienced engineers and producers such as Glyn Johns and Eddie Kramer. Phill soon worked his way up engineering sessions for Mott the Hoople, David Bowie, Led Zeppelin, Bob Marley and many other lendary rockers. He eventually became a freelance engineer/producer and worked with Roxy Music, Go West, Talk Talk, and Robert Plant. But more than a recollection of participating in some of the most treasured music of the past 40 years, this is a man's journey through life as Phill struggles to balance his home and family with a job where drug abuse, chaos, rampant egos, greed, lies and the increasingly invasive record business take their toll. It's also a cautionary tale, where long workdays and what once seemed like harmless indulgences become health risks, yet eventually offer a time to reflect back on.
This manual was created by a working production assistant as a tutorial for those starting out, or a reference guide for seasoned filmmakers. "Getting It Done" offers information on the many departments involved in a film production, the day-to-day operations of the set, and much more.