Download or read book Reaction Rate Theory and Rare Events written by Baron Peters and published by Elsevier. This book was released on 2017-03-22 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises
Download or read book Continuous Biopharmaceutical Processes written by David Pfister and published by Cambridge University Press. This book was released on 2018-10-11 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: This innovative reference provides a coherent and critical view on the potential benefits of a transition from batch to continuous processes in the biopharmaceutical industry, with the main focus on chromatography. It also covers the key topics of protein stability and protein conjugation, addressing the chemical reaction and purification aspects together with their integration. This book offers a fine balance between theoretical modelling and illustrative case studies, between fundamental concepts and applied examples from the academic and industrial literature. Scientists interested in the design of biopharmaceutical processes will find useful practical methodologies, in particular for single-column and multi-column chromatographic processes.
Download or read book Handbook of Research on Computational Science and Engineering Theory and Practice written by Leng, J. and published by IGI Global. This book was released on 2011-10-31 with total page 701 pages. Available in PDF, EPUB and Kindle. Book excerpt: By using computer simulations in research and development, computational science and engineering (CSE) allows empirical inquiry where traditional experimentation and methods of inquiry are difficult, inefficient, or prohibitively expensive. The Handbook of Research on Computational Science and Engineering: Theory and Practice is a reference for interested researchers and decision-makers who want a timely introduction to the possibilities in CSE to advance their ongoing research and applications or to discover new resources and cutting edge developments. Rather than reporting results obtained using CSE models, this comprehensive survey captures the architecture of the cross-disciplinary field, explores the long term implications of technology choices, alerts readers to the hurdles facing CSE, and identifies trends in future development.
Download or read book Stochastic Processes in Physics Chemistry and Biology written by Jan A. Freund and published by Springer Science & Business Media. This book was released on 2000-10-04 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of stochastic processes originally grew out of efforts to describe Brownian motion quantitatively. Today it provides a huge arsenal of methods suitable for analyzing the influence of noise on a wide range of systems. The credit for acquiring all the deep insights and powerful methods is due ma- ly to a handful of physicists and mathematicians: Einstein, Smoluchowski, Langevin, Wiener, Stratonovich, etc. Hence it is no surprise that until - cently the bulk of basic and applied stochastic research was devoted to purely mathematical and physical questions. However, in the last decade we have witnessed an enormous growth of results achieved in other sciences - especially chemistry and biology - based on applying methods of stochastic processes. One reason for this stochastics boom may be that the realization that noise plays a constructive rather than the expected deteriorating role has spread to communities beyond physics. Besides their aesthetic appeal these noise-induced, noise-supported or noise-enhanced effects sometimes offer an explanation for so far open pr- lems (information transmission in the nervous system and information p- cessing in the brain, processes at the cell level, enzymatic reactions, etc.). They may also pave the way to novel technological applications (noise-- hanced reaction rates, noise-induced transport and separation on the na- scale, etc.). Key words to be mentioned in this context are stochastic r- onance, Brownian motors or ratchets, and noise-supported phenomena in excitable systems.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1991 with total page 1460 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Download or read book The Theory of Chemical Reaction Dynamics written by D.C. Clary and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For all these reasons, the quantum theory of reactive scattering is an area that has received considerable attention recently. This book describes the proceedings of a NATO Advanced Research Workshop held at CECAM, Orsay, France in June, 1985. The Workshop concentrated on a critical examination and discussion of the recent developments in the theory of chemical reaction dynamics, with particular emphasis on quantum theories. Several papers focus on exact theories for reactions.
Download or read book Advances in Molecular Structure Research written by and published by Elsevier. This book was released on 1995-09-28 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in molecular structure research reflects progress in chemistry in many ways. Much of it is thus blended inseparably with the rest of chemistry. It appears to be prudent, however, to review the frontiers of this field from time to time. This may help the structural chemist to delineate the main thrusts of advances in this area of research. What is even more important though, these efforts may assist the rest of the chemists to learn about new possibilities in structural studies, both methodological and interpretation. The aim is to make this a user-oriented series. Structural chemists of excellence will be critically evaluating a field or direction including their own achievements, and charting expected developments.
Download or read book Mechanics of Elastic Biomolecules written by W.A. Linke and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: A representative cross-section of elastic biomolecules is covered in this volume, which combines seventeen contributions from leading research groups. State-of-the-art molecular mechanics experiments are described dealing with the elasticity of DNA and nucleoprotein complexes, titin and titin-like proteins in muscle, as well as proteins of the cytoskeleton and the extracellular matrix. The book speaks particularly to cell biologists, biophysicists, or bioengineers, and to senior researchers and graduate students alike, who are interested in recent advances in single-molecule technology (optical tweezers technique, atomic force microscopy), EM imaging, and computer simulation approaches to study nanobiomechanics. The findings discussed here have redefined our view of the role mechanical signals play in cellular functions and have greatly helped improve our understanding of biological elasticity in general.
Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Download or read book On the Collision Mechanism of Bimolecular Reactions Theory and experimental method for the determination of the velocity spectrum of products from Simple H transfer reactions of the type X H2 right arrow XH H written by A. Henglein and published by . This book was released on 1968 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theoretical Physics for Biological Systems written by Paola Lecca and published by CRC Press. This book was released on 2019-01-30 with total page 105 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum physics provides the concepts and their mathematical formalization that lend themselves to describe important properties of biological networks topology, such as vulnerability to external stress and their dynamic response to changing physiological conditions. A theory of networks enhanced with mathematical concepts and tools of quantum physics opens a new area of biological physics, the one of systems biological physics.
Download or read book Reaction Rate Constant Computations written by Keli Han and published by Royal Society of Chemistry. This book was released on 2014 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1994-12 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Report of the National Science Board written by and published by . This book was released on 1978 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book National Science Board written by and published by . This book was released on 1978 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Unstable Chemical Species written by Thomas Freund and published by . This book was released on 1957 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dynamic Force Spectroscopy and Biomolecular Recognition written by Anna Rita Bizzarri and published by CRC Press. This book was released on 2012-01-25 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular recognition, also known as biorecognition, is the heart of all biological interactions. Originating from protein stretching experiments, dynamic force spectroscopy (DFS) allows for the extraction of detailed information on the unbinding process of biomolecular complexes. It is becoming progressively more important in biochemical studies a
