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Structure And Dynamics In Complex Chemical Systems
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Book Synopsis Dynamics Of Complex Systems by : Yaneer Bar-yam
Download or read book Dynamics Of Complex Systems written by Yaneer Bar-yam and published by CRC Press. This book was released on 2019-03-04 with total page 866 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to develop models and modeling techniques that are useful when applied to all complex systems. It adopts both analytic tools and computer simulation. The book is intended for students and researchers with a variety of backgrounds.
Book Synopsis Water in Biological and Chemical Processes by : Biman Bagchi
Download or read book Water in Biological and Chemical Processes written by Biman Bagchi and published by Cambridge University Press. This book was released on 2013-11-14 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Book Synopsis Physics in a New Era by : National Research Council
Download or read book Physics in a New Era written by National Research Council and published by National Academies Press. This book was released on 2001-07-15 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physics at the beginning of the twenty-first century has reached new levels of accomplishment and impact in a society and nation that are changing rapidly. Accomplishments have led us into the information age and fueled broad technological and economic development. The pace of discovery is quickening and stronger links with other fields such as the biological sciences are being developed. The intellectual reach has never been greater, and the questions being asked are more ambitious than ever before. Physics in a New Era is the final report of the NRC's six-volume decadal physics survey. The book reviews the frontiers of physics research, examines the role of physics in our society, and makes recommendations designed to strengthen physics and its ability to serve important needs such as national security, the economy, information technology, and education.
Book Synopsis What Is a Complex System? by : James Ladyman
Download or read book What Is a Complex System? written by James Ladyman and published by Yale University Press. This book was released on 2020-08-05 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: A clear, concise introduction to the quickly growing field of complexity science that explains its conceptual and mathematical foundations What is a complex system? Although "complexity science" is used to understand phenomena as diverse as the behavior of honeybees, the economic markets, the human brain, and the climate, there is no agreement about its foundations. In this introduction for students, academics, and general readers, philosopher of science James Ladyman and physicist Karoline Wiesner develop an account of complexity that brings the different concepts and mathematical measures applied to complex systems into a single framework. They introduce the different features of complex systems, discuss different conceptions of complexity, and develop their own account. They explain why complexity science is so important in today's world.
Download or read book Femtochemistry written by Ahmed H. Zewail and published by World Scientific. This book was released on 1994 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes on Femtochemistry present a timely contribution to a field central to the understanding of the dynamics of the chemical bond. This century has witnessed great strides in time and space resolutions, down to the atomic scale, providing chemists, biologists and physicists with unprecedented opportunities for seeing microscopic structures and dynamics. Femtochemistry is concerned with the time resolution of the most elementary motions of atoms during chemical change -- bond breaking and bond making -- on the femtosecond (10-15 second) time scale. This atomic scale of time resolution has now reached the ultimate for the chemical bond and as Lord George Porter puts it, chemists are near the end of the race against time. These two volumes cover the general concepts, techniques and applications of femtochemistry.Professor Ahmed Zewail, who has made the pioneering contributions in this field, has from over 250 publications selected the articles for this anthology. These volumes begin with a commentary and a historical chronology of the milestones. He then presents a broad perspective of the current state of knowledge in femtochemistry by researchers around the world and discusses possible new directions. In the words of a colleague, "it is a must on the reading-list for all of my students ... all readers will find this to be an informative and valuable overview."The introductory articles in Volume I provide reviews for both the non-experts as well as for experts in the field. This is followed by papers on the basic concepts. For applications, elementary reactions are studied first and then complex reactions. Volume I is complete with studies of solvation dynamics, non-reactive systems, ultrafast electron diffraction and the control of chemical reactions.Volume II continues with reaction rates, the concept of elementary intramolecular vibrational-energy redistribution (IVR) and the phenomena of rotational coherence which has become a powerful tool for the determination of molecular structure via time resolution. The second volume ends with an extensive list of references, according to topics, based on work by Professor Zewail and his group at Caltech.These collected works by Professor Zewail will certainly be indispensable to both experts and beginners in the field. The author is known for his clarity and for his creative and systematic contributions. These volumes will be of interest and should prove useful to chemists, biologists and physicists. As noted by Professor J Manz (Berlin) and Professor A W Castleman, Jr. (Penn State): femtochemistry is yielding exciting new discoveries from analysis to control of chemical reactions, with applications in many domains of chemistry and related fields, e.g., physical, organic and inorganic chemistry, surface science, molecular biology, ... etc.
Book Synopsis Structural Dynamics with X-ray and Electron Scattering by : Kasra Amini
Download or read book Structural Dynamics with X-ray and Electron Scattering written by Kasra Amini and published by Royal Society of Chemistry. This book was released on 2023-12-20 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the early 20th century, X-ray and electron scattering has provided a powerful means by which the location of atoms can be identified in gas-phase molecules and condensed matter with sub-atomic spatial resolution. Scattering techniques can also provide valuable observables of the fundamental properties of electrons in matter such as an electron’s spin and its energy. In recent years, significant technological developments in both X-ray and electron scattering have paved the way to time-resolved analogues capable of capturing real-time snapshots of transient structures undergoing a photochemical reaction. Structural Dynamics with X-ray and Electron Scattering is a two-part book that firstly introduces the fundamental background to scattering theory and photochemical phenomena of interest. The second part discusses the latest advances and research results from the application of ultrafast scattering techniques to imaging the structure and dynamics of gas-phase molecules and condensed matter. This book aims to provide a unifying platform for X-ray and electron scattering.
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis Chemical Kinetics and Reaction Dynamics by : Santosh K. Upadhyay
Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
Author :Reuben R. McDaniel Publisher :Springer Science & Business Media ISBN 13 :9783540237730 Total Pages :220 pages Book Rating :4.2/5 (377 download)
Book Synopsis Uncertainty and Surprise in Complex Systems by : Reuben R. McDaniel
Download or read book Uncertainty and Surprise in Complex Systems written by Reuben R. McDaniel and published by Springer Science & Business Media. This book was released on 2005-03-11 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: Complexity science has been a source of new insight in physical and social systems and has demonstrated that unpredictability and surprise are fundamental aspects of the world around us. This book is the outcome of a discussion meeting of leading scholars and critical thinkers with expertise in complex systems sciences and leaders from a variety of organizations, sponsored by the Prigogine Center at The University of Texas at Austin and the Plexus Institute, to explore strategies for understanding uncertainty and surprise. Besides contributions to the conference, it includes a key digest by the editors as well as a commentary by the late nobel laureate Ilya Prigogine, "Surprises in half of a century". The book is intended for researchers and scientists in complexity science, as well as for a broad interdisciplinary audience of both practitioners and scholars. It will well serve those interested in the research issues and in the application of complexity science to physical and social systems.
Book Synopsis Quantum Chemistry and Dynamics of Excited States by : Leticia González
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Book Synopsis Computational Aspects for Large Chemical Systems by : E. Clementi
Download or read book Computational Aspects for Large Chemical Systems written by E. Clementi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 191 pages. Available in PDF, EPUB and Kindle. Book excerpt: 1. 1 STATEMENT OF THE PROBLEM Quantum chemistry judged not from the ever present possibility of unex pected developments but on the basis of the achievements in the last fifty years, is predominantly limited to attempts to solve for the energy and expectation values of wave functions representing, in the limit, an exact solution to the Schroedinger equation. Because of well-known dif ficulties in system with more than about 50 electrons, the adopted ap proximations are generally rather crude. As examples of quantum chemical approximations we mention the total or partial neglects of electron correlation, the neglect of relativistic effects, the use of subminimal basis sets, the still present neglect of inner-core electrons in semi-empirical methods, the acceptance of the Born-Oppenheimer approximations, and so on. In general, the larger the system, in terms of the number of electrons, the cruder the approxima tion. In a way, the present status of quantum chemistry might appear as nearly paradoxical. Indeed, for small systems, where very accurate ex periments are often available, and therefore, there is not a great need to obtain (from quantum chemistry) predictions of new data but rather ,a theoretical interpretation of the existing data, we find increasi~gly powerful and reliable quantum chemical methods and techniques.
Book Synopsis The Structure and Rheology of Complex Fluids by : Ronald G. Larson
Download or read book The Structure and Rheology of Complex Fluids written by Ronald G. Larson and published by OUP USA. This book was released on 1999-01-28 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Structure and Rheology of Complex Fluids describes the microstructures of polymeric, colloidal, amphiphilic, and liquid crystalline liquids, and the relationship between microstructure and mechanical and flow properties. It provides illustrations, practical examples, and worked problems. This book can serve as both a textbook for a graduate course and a research monograph.
Book Synopsis Biomolecular Simulations in Structure-Based Drug Discovery by : Francesco L. Gervasio
Download or read book Biomolecular Simulations in Structure-Based Drug Discovery written by Francesco L. Gervasio and published by John Wiley & Sons. This book was released on 2019-04-29 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their current projects. Experts from the pharmaceutical industry and academic institutions present real-life examples for important target classes such as GPCRs, ion channels and amyloids as well as for common challenges in structure-based drug discovery. Biomolecular Simulations in Structure-based Drug Discovery is an important resource that: -Contains a review of the current generation of biomolecular simulation tools that have the robustness and speed that allows them to be used as routine tools by non-specialists -Includes information on the novel methods and strategies for the modeling of drug-target interactions within the framework of real-life drug discovery and development -Offers numerous illustrative case studies from a wide-range of therapeutic fields -Presents an application-oriented reference that is ideal for those working in the various fields Written for medicinal chemists, professionals in the pharmaceutical industry, and pharmaceutical chemists, Biomolecular Simulations in Structure-based Drug Discovery is a comprehensive resource to modern simulation tools that complement and have the potential to complement or replace laboratory assays for better results in drug design.
Book Synopsis Molecular Spectroscopy and Quantum Dynamics by : Roberto Marquardt
Download or read book Molecular Spectroscopy and Quantum Dynamics written by Roberto Marquardt and published by Elsevier. This book was released on 2020-09-18 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. - Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion - Presents the most recent developments in the detection and interpretation of ultra-fast phenomena - Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Book Synopsis Electronic Structure, Dynamics, and Quantum Structural Properties of Condensed Matter by : Jozef T. Devreese
Download or read book Electronic Structure, Dynamics, and Quantum Structural Properties of Condensed Matter written by Jozef T. Devreese and published by Springer Science & Business Media. This book was released on 2013-11-21 with total page 591 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 1984 Advanced Study Institute on "Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter" took place at the Corsendonk Conference Center, close to the City of Antwerpen, from July 16 till 27, 1984. This NATO Advanced Study Institute was motivated by the research in my Institute, where, in 1971, a project was started on "ab-initio" phonon calculations in Silicon. I~ is my pleasure to thank several instances and people who made this ASI possible. First of all, the sponsor of the Institute, the NATO Scientific Committee. Next, the co-sponsors: Agfa-Gevaert, Bell Telephone Mfg. Co. N.V., C & A, Esso Belgium·, CDC Belgium, Janssens Pharmaceutica, Kredietbank and the Scientific Office of the U.S. Army. Special thanks are due to Dr. P. Van Camp and Drs. H. Nachtegaele, who, over several months, prepared the practical aspects of the ASI with the secretarial help of Mrs. R.-M. Vandekerkhof. I also like to. thank Mrs. M. Cuyvers who prepared and organized the subject and material index and Mrs. H. Evans for typing-assist ance. I express particular gratitude to Mrs. F. Nedee, who, like in 1981 and 1982, has put the magnificent Corsendonk Conference Center at our disposal and to Mr. D. Van Der Brempt, Director of the Corsendonk Conference Center, for the efficient way in which he and his staff took care of the practical organization at the Conference Center.
Book Synopsis Issues in Chemistry and General Chemical Research: 2011 Edition by :
Download or read book Issues in Chemistry and General Chemical Research: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 6582 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Chemistry and General Chemical Research: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Chemistry and General Chemical Research. The editors have built Issues in Chemistry and General Chemical Research: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chemistry and General Chemical Research in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemistry and General Chemical Research: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
