Proceedings Of The Satellite Symposium On Thirty Years Of Density Functional Theory Concepts And Applications
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Author | : Kenny B. Lipkowitz |
Publisher | : John Wiley & Sons |
Total Pages | : 431 |
Release | : 2003-05-08 |
Genre | : Science |
ISBN | : 0471458813 |
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Author | : J.S. Murray |
Publisher | : Elsevier |
Total Pages | : 681 |
Release | : 1996-11-22 |
Genre | : Science |
ISBN | : 0080536859 |
Over the past 25 years, the molecular electrostatic potential has become firmly established as an effective guide to molecular interactions. With the recent advances in computational technology, it is currently being applied to a variety of important chemical and biological systems. Its range of applicability has expanded from primarily a focus on sites for electrophilic and nucleophilic attack to now include solvent effects, studies of zeolite, molecular cluster and crystal behavior, and the correlation and prediction of a wide range of macroscopic properties. Moreover, the increasing prominence of density functional theory has raised the molecular electrostatic potential to a new stature on a more fundamental conceptual level. It is rigorously defined in terms of the electron density, and has very interesting topological characteristics since it explicitly reflects opposing contributions from the nuclei and the electrons.This volume opens with a survey chapter by one of the original pioneers of the use of the electrostatic potential in studies of chemical reactivity, Jacopo Tomasi. Though the flow of the succeeding chapters is not stringently defined, the overall trend is that the emphasis changes gradually from methodology to applications. Chapters discussing more theoretical topics are placed near the end. Readers will find the wide variety of topics provided by an international group of authors both convincing and useful.
Author | : British Library. Document Supply Centre |
Publisher | : |
Total Pages | : 938 |
Release | : 1997 |
Genre | : Conference proceedings |
ISBN | : |
Author | : |
Publisher | : |
Total Pages | : 88 |
Release | : 1961-05 |
Genre | : |
ISBN | : |
The Bulletin of the Atomic Scientists is the premier public resource on scientific and technological developments that impact global security. Founded by Manhattan Project Scientists, the Bulletin's iconic "Doomsday Clock" stimulates solutions for a safer world.
Author | : |
Publisher | : |
Total Pages | : 1572 |
Release | : 1992 |
Genre | : Aeronautics |
ISBN | : |
Author | : Rainer Sandau |
Publisher | : Springer Science & Business Media |
Total Pages | : 399 |
Release | : 2008-04-18 |
Genre | : Technology & Engineering |
ISBN | : 140206943X |
The 6th IAA Symposium on Small Satellites for Earth Observation, initiated by the International Academy of Astronautics (IAA), was again hosted by DLR, the German Aerospace Center. The participation of scientists, engineers, and managers from 24 countries reflected the high interest in the use of small satellites for dedicated missions applied to Earth observation. The contributions showed that dedicated Earth observation missions cover a wide range of very different tasks.
Author | : Kevin Lynch |
Publisher | : MIT Press |
Total Pages | : 212 |
Release | : 1964-06-15 |
Genre | : Architecture |
ISBN | : 9780262620017 |
The classic work on the evaluation of city form. What does the city's form actually mean to the people who live there? What can the city planner do to make the city's image more vivid and memorable to the city dweller? To answer these questions, Mr. Lynch, supported by studies of Los Angeles, Boston, and Jersey City, formulates a new criterion—imageability—and shows its potential value as a guide for the building and rebuilding of cities. The wide scope of this study leads to an original and vital method for the evaluation of city form. The architect, the planner, and certainly the city dweller will all want to read this book.
Author | : |
Publisher | : |
Total Pages | : 770 |
Release | : 2000 |
Genre | : Geographic information systems |
ISBN | : |
Author | : Julius Panero |
Publisher | : Watson-Guptill |
Total Pages | : 322 |
Release | : 2014-01-21 |
Genre | : Architecture |
ISBN | : 0770434606 |
The study of human body measurements on a comparative basis is known as anthropometrics. Its applicability to the design process is seen in the physical fit, or interface, between the human body and the various components of interior space. Human Dimension and Interior Space is the first major anthropometrically based reference book of design standards for use by all those involved with the physical planning and detailing of interiors, including interior designers, architects, furniture designers, builders, industrial designers, and students of design. The use of anthropometric data, although no substitute for good design or sound professional judgment should be viewed as one of the many tools required in the design process. This comprehensive overview of anthropometrics consists of three parts. The first part deals with the theory and application of anthropometrics and includes a special section dealing with physically disabled and elderly people. It provides the designer with the fundamentals of anthropometrics and a basic understanding of how interior design standards are established. The second part contains easy-to-read, illustrated anthropometric tables, which provide the most current data available on human body size, organized by age and percentile groupings. Also included is data relative to the range of joint motion and body sizes of children. The third part contains hundreds of dimensioned drawings, illustrating in plan and section the proper anthropometrically based relationship between user and space. The types of spaces range from residential and commercial to recreational and institutional, and all dimensions include metric conversions. In the Epilogue, the authors challenge the interior design profession, the building industry, and the furniture manufacturer to seriously explore the problem of adjustability in design. They expose the fallacy of designing to accommodate the so-called average man, who, in fact, does not exist. Using government data, including studies prepared by Dr. Howard Stoudt, Dr. Albert Damon, and Dr. Ross McFarland, formerly of the Harvard School of Public Health, and Jean Roberts of the U.S. Public Health Service, Panero and Zelnik have devised a system of interior design reference standards, easily understood through a series of charts and situation drawings. With Human Dimension and Interior Space, these standards are now accessible to all designers of interior environments.
Author | : |
Publisher | : |
Total Pages | : 652 |
Release | : 1986 |
Genre | : Space stations |
ISBN | : |