Activated Barrier Crossing

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Activated Barrier Crossing

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Author : Graham R Fleming
Publisher : World Scientific
ISBN 13 : 9814590908
Total Pages : 336 pages
Book Rating : 4.8/5 (145 download)

Book Synopsis Activated Barrier Crossing by : Graham R Fleming

Download or read book Activated Barrier Crossing written by Graham R Fleming and published by World Scientific. This book was released on 1993-12-22 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: The passage of a system from one minimum energy state to another via a potential energy barrier provides a model for the microscopic description of a wide range of physical, chemical and biological phenomena. Examples include diffusion of atoms in solids or on surfaces, flux transitions in superconducting quantum interference devices (SQUIDs), isomerization reactions in solution, electron transfer processes, and ligand binding in proteins. In general, both tunneling and thermally activated barrier crossing may be involved in determining the rate. This book surveys key experiments chosen from physics, chemistry and biology, and describes theoretical methods appropriate for both classical and quantum barrier crossing. A major feature of the book is the attempt to integrate the experimental and theoretical work in one volume. Contents:Introduction (P Hänggi & G R Fleming)Variational Transition State Theory for Dissipative Systems (E Pollak)Multidimensional Barrier Crossing (A Nitzan & Z Schuss)Theoretical and Numerical Methods in Rate Theory (B J Berne)Barrier Crossing Phenomena in the Heme Pocket of Myoglobin (H Frauenfelder et al.)Friction Effects and Barrier Crossing (M Cho et al.)Chemical Aspects of Solution Phase Reaction Dynamics (D Raftery et al.)Solvent Effects in the Dynamics of Dissociation, Recombination and Isomerization Reactions (J Schroeder & J Troe)Thermally Activated Barrier Crossings in Superconducting Quantum Interference Devices (S Han et al.)Barrier Crossing at Low Temperatures (P Hänggi)Dynamics of the Spin-Boson System (U Weiss & M Sassetti) Readership: Condensed matter physicists, physical chemists and biophysicists. Keywords:Reaction Rate Theory;Kramers Theory;Chemical Kinetics;Quantum Tunneling;Quantum Rate Theory;Multidimensional Barrier Crossing;Transition State Theory;Numerical Methods in Rate Theory;Barrier Crossing;Activated Events;Brownian Motion;Dissociation and Isomerization

Activated Barrier Crossing

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Author : Graham R. Fleming
Publisher :
ISBN 13 : 9789810240479
Total Pages : 336 pages
Book Rating : 4.2/5 (44 download)

Book Synopsis Activated Barrier Crossing by : Graham R. Fleming

Download or read book Activated Barrier Crossing written by Graham R. Fleming and published by . This book was released on 1993-12-01 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: The passage of a system from one minimum energy state to another via a potential energy barrier provides a model for the microscopic description of a wide range of physical, chemical and biological phenomena. Examples include diffusion of atoms in solids or on surfaces, flux transitions in superconducting quantum interference devices (SQUIDS), isometrization reactions in solution, electron transfer processes and ligand binding in proteins. In general, both tunnelling and thermally activated barrier crossing may be involved in determining the rate.

Molecular Relaxation in Liquids

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Author : Biman Bagchi
Publisher : Oxford University Press
ISBN 13 : 0199863334
Total Pages : 304 pages
Book Rating : 4.1/5 (998 download)

Book Synopsis Molecular Relaxation in Liquids by : Biman Bagchi

Download or read book Molecular Relaxation in Liquids written by Biman Bagchi and published by Oxford University Press. This book was released on 2012-01-30 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together many different relaxation phenomena in liquids under a common umbrella and provides a unified view of apparently diverse phenomena. It aligns recent experimental results obtained with modern techniques with recent theoretical developments. Such close interaction between experiment and theory in this area goes back to the works of Einstein, Smoluchowski, Kramers' and de Gennes. Development of ultrafast laser spectroscopy recently allowed study of various relaxation processes directly in the time domain, with time scales going down to picosecond (ps) and femtosecond (fs) time scales. This was a remarkable advance because many of the fundamental chemical processes occur precisely in this range and was inaccessible before the 1980s. Since then, an enormous wealth of information has been generated by many groups around the world, who have discovered many interesting phenomena that has fueled further growth in this field. As emphasized throughout the book, the seemingly different phenomena studied in this area are often closely related at a fundamental level. Biman Bagchi explains why relatively small although fairly sophisticated theoretical tools have been successful in explaining a wealth of experimental data at a semi-phenomenological level.

Applications of Picosecond Spectroscopy to Chemistry

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Author : K.B. Eisenthal
Publisher : Springer Science & Business Media
ISBN 13 : 9400964277
Total Pages : 361 pages
Book Rating : 4.4/5 (9 download)

Book Synopsis Applications of Picosecond Spectroscopy to Chemistry by : K.B. Eisenthal

Download or read book Applications of Picosecond Spectroscopy to Chemistry written by K.B. Eisenthal and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the development of lasers that can generate light 11 14 pulses ranging from 10- - 10- sec duration, and capable of 13 peak powers in excess of 10 watts scientists have been able to investigate the interactions of light with matter in a time and power domain not previously possible. These ultrashort laser pulses provide a powerful tool for the study of chemical phenomena at the most fundamental level. Many of the elementary processes of importance in chemistry including energy dissipa tion, molecular motions, structural and chemical changes occur on a very short time scale and thus require special approaches. Th~ use of ultrashort laser pulses to perturb and to probe systems of interest affords a direct approach to the time reso lution of very rapid chemical phenomena. It was recognition of the impact of these relatively new approaches to chemical phenomena that motivated NATO to sponsor a meeting on the applications of picosecond spectroscopy in chemistry. The primary aim of the NATO workshop was to gain some perspective on the status of the field in terms of present research activities, technological developments and if possible the difficult task of sensing future directions. The way we decided to approach these issues was to gather together the main contributors to the field, fortunately many of whom were able to attend, to present their work and to participate in what turned out to be lively discussions of the field.

Nonequilibrium Statistical Mechanics

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Author : Biman Bagchi
Publisher : CRC Press
ISBN 13 : 100099693X
Total Pages : 562 pages
Book Rating : 4.0/5 (9 download)

Book Synopsis Nonequilibrium Statistical Mechanics by : Biman Bagchi

Download or read book Nonequilibrium Statistical Mechanics written by Biman Bagchi and published by CRC Press. This book was released on 2023-11-21 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nonequilibrium statistical mechanics (NESM), practically synonymous with time-dependent statistical mechanics (TDSM), is a beautiful and profound subject, vast in scope, diverse in applications, and indispensable in understanding the changing natural phenomena we encounter in the physical, chemical and biological world. Although time dependent phenomena have been studied from antiquity, the modern subject, the nonequilibrium statistical mechanics, has its genesis in Boltzmann’s 1872 classic paper that aimed at extending Maxwell’s kinetic theory of gases by including intermolecular interactions. Subsequent development of the subject drew upon the seminal work of Einstein and Langevin on Brownian motion, Rayleigh and Stokes on hydrodynamics, and on the works of Onsager, Prigogine, Kramers, Kubo, Mori, and Zwanzig. One major goal of this book is to develop and present NESM in an organized fashion so that students can appreciate and understand the flow of the subject from postulates to practical uses. This book takes the students on a journey from fundamentals to applications, mostly using simple mathematics, and fundamental concepts. With the advent of computers and computational packages and techniques, a deep intuitive understanding can allow the students to tackle fairly complex problems, like proteins in lipid membranes or solvation of ions in electrolytes used in batteries. The subject is still evolving rapidly, with forays into complex biological events, and materials science. Nonequilibrium Statistical Mechanics: An Introduction with Applications is, thus, an introductory text that aims to provide students with a background and skill essential to study and understand time-dependent (relaxation) phenomena. It will allow students to calculate transport properties like diffusion and conductivity. The book also teaches the methods to calculate reaction rate on a multi-dimensional energy surface, in another such application. For a beginner in the field, especially for one with an aim to study chemistry and biology, and also physics, one major difficulty faced is a lack of organization of the available study material. Since NESM is a vast subject with many different theoretical tools, the above poses a problem. This book lays the foundations towards understanding time- dependent phenomena in a simple and systematic fashion. It is accessible to students and researchers who have basic training in physics and mathematics. The book can be used to teach advanced undergraduates. Some involved topics, like the projection operator technique and mode coupling theory, are more suitable for Ph.D. level.

Theoretical Chemistry Accounts

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Author : Christopher Cramer
Publisher : Springer Science & Business Media
ISBN 13 : 3662104210
Total Pages : 197 pages
Book Rating : 4.6/5 (621 download)

Book Synopsis Theoretical Chemistry Accounts by : Christopher Cramer

Download or read book Theoretical Chemistry Accounts written by Christopher Cramer and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 197 pages. Available in PDF, EPUB and Kindle. Book excerpt: For the New Century Issue of the journal "Theroretical Chemistry Accounts" the advisory editors identified papers from the first century of theoretical chemistry and discussed their importance for the twentieth century with an eye towards the twenty-first century. Sixty-six such perspectives are published in the New Century Issue. To make this unique collection available to younger scientists for entertaining reading and re-reading of the original publications, the publisher decided to reprint a special edition of the issue.

Picosecond Phenomena III

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Author : K.B. Eisenthal
Publisher : Springer Science & Business Media
ISBN 13 : 3642878644
Total Pages : 413 pages
Book Rating : 4.6/5 (428 download)

Book Synopsis Picosecond Phenomena III by : K.B. Eisenthal

Download or read book Picosecond Phenomena III written by K.B. Eisenthal and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: The third international conference devoted to picosecond phenomena was held June 16-18, 1982 in Garmisch-Partenkirchen, West Germany. Scientists from widely varying disciplines, physicists, chemists, biologists, and engineers came together to share their common interest in picosecond and subpicosecond processes. The meeting attracted approximately 250 scientists from numerous countries around the globe. More than .100 papers were concerned with the latest advances in the ex perimental and theoretical understanding of ultrafast phenomena. New dis coveries in femtosecond and picosecond pulse generation and new results in chemical dynamics, solid-state physics, and nonlinear optics were presented. The quality of the scientific reports, the enthusiasm of the participating scientists, as well as the magnificent surroundings of the Bavarian alps guaranteed a successful and pleasant conference. Numerous people have helped to make the conference a success. Special thanks are due to Carin von Oberkamp for dOing a superb job in implementing the meeting arrangements and to the program committee for the selection and organisation of the scientific presentations. The financial support of the Deutsche Forschungsgemeinschaft and of the Bayerische Staatsministerium fUr Unterricht und Kultur is gratefully ack nowledged.

Sustainable Rail Transport

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Author : Anna Fraszczyk
Publisher : Springer
ISBN 13 : 3319785443
Total Pages : 307 pages
Book Rating : 4.3/5 (197 download)

Book Synopsis Sustainable Rail Transport by : Anna Fraszczyk

Download or read book Sustainable Rail Transport written by Anna Fraszczyk and published by Springer. This book was released on 2018-06-19 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: These conference proceedings include a collection of articles presented at the RailExchange conference in October 2017 at Newcastle University, UK. They will be useful for researchers in developing countries looking for opportunities of knowledge exchange. The RailExchange project aimed to develop sustainable railway education in Thailand, via international partnerships and industry collaborations based around stakeholders' expertise and experiences. It involved staff exchange (academics and researchers) between Mahidol and Newcastle University for joint research and curriculum development and also organizing railway conferences and workshops in both Thailand and the UK. The papers published here focus on rail-related issues and present a perspective of a widely understood 'exchange' in academia and industry environments. 'Exchange' is perceived as rail knowledge exchange between partners, rail staff exchange between academia and/or industry, research exchange between teams, student-lecturer knowledge exchange, academia-industry collaboration, etc. In addition, more general rail-related papers are also included.

Radiation-Chemical Processes in Solid Phase

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Author : Evginiy I. Grigoriev
Publisher : CRC Press
ISBN 13 : 9780849394362
Total Pages : 232 pages
Book Rating : 4.3/5 (943 download)

Book Synopsis Radiation-Chemical Processes in Solid Phase by : Evginiy I. Grigoriev

Download or read book Radiation-Chemical Processes in Solid Phase written by Evginiy I. Grigoriev and published by CRC Press. This book was released on 1996-11-14 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unlike many other references, Radiation-Chemical Processes in Solid Phase analyzes experimental data on radiolysis in terms of solid-state physics. It traces the effect exerted by media from primary processes of radiation-substance interaction to final products. The authors consider the main chemically active elementary excitations arising under irradiation of solids and discuss the mechanisms of chemical reactions induced by them. They present the general principles of solid-state and molecular physics, and cover numerous radiation-chemical processes.

Tunneling Systems in Amorphous and Crystalline Solids

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Author : Pablo Esquinazi
Publisher : Springer Science & Business Media
ISBN 13 : 3662036959
Total Pages : 616 pages
Book Rating : 4.6/5 (62 download)

Book Synopsis Tunneling Systems in Amorphous and Crystalline Solids by : Pablo Esquinazi

Download or read book Tunneling Systems in Amorphous and Crystalline Solids written by Pablo Esquinazi and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive book provides a full description of experimental and theoretical details and the latest theories. The expert contributions point out the direction research is currently taking, the expectations and implications, serving as useful introductory surveys.

Molecular Mechanisms in Materials

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Author : Sidney Yip
Publisher : MIT Press
ISBN 13 : 0262374951
Total Pages : 287 pages
Book Rating : 4.2/5 (623 download)

Book Synopsis Molecular Mechanisms in Materials by : Sidney Yip

Download or read book Molecular Mechanisms in Materials written by Sidney Yip and published by MIT Press. This book was released on 2023-10-24 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: A student-oriented introduction to understanding mechanisms at the atomistic level controlling macroscopic materials phenomena through molecular dynamics simulations. Machine-learning-based computation in materials innovation, performance optimization, and sustainability offers exciting opportunities at the mesoscale research frontier. Molecular Mechanisms in Materials presents research findings and insights about material behavior at the molecular level and its impact on macroscopic properties. The book’s fifteen essays represent author Sidney Yip’s work in atomistic modeling and materials simulation over more than five decades. The phenomena are grouped into five basic types: fluctuations in simple fluids, crystal melting, plasticity and fracture, glassy relaxations, and amorphous rheology, all focused on molecular mechanisms in base materials. The organizing principle of Molecular Mechanisms in Materials is multiscale modeling and simulation, where conceptual models and simulation techniques are linked across the micro-to-macro length and time scales to control the outcome of specific materials processes. Each essay addresses a specific standalone topic of materials phenomena while also recognizing the larger context of materials science and technology. Individual case studies serve both as standalone essays and companion pieces to each other. Indeed, the global transformation of science and technology is well underway: in his epilogue, Yip discusses the potential of artificial intelligence and machine learning to enhance future materials for societal benefits in the face of global challenges such as climate change, energy sustainability, infrastructure renewal, and nuclear arms control.

Protein Folding, Misfolding and Aggregation

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Author : Victor Muñoz
Publisher : Royal Society of Chemistry
ISBN 13 : 1847558283
Total Pages : 288 pages
Book Rating : 4.8/5 (475 download)

Book Synopsis Protein Folding, Misfolding and Aggregation by : Victor Muñoz

Download or read book Protein Folding, Misfolding and Aggregation written by Victor Muñoz and published by Royal Society of Chemistry. This book was released on 2008-06-24 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein folding and aggregation is the process by which newly synthesized proteins fold into the specific three-dimensional structures defining their biologically active states. It has always been a major focus of research in biochemistry and has often been seen as the unsolved second part of the genetic code. In the last 10 years we have witnessed a quantum leap in the research in this exciting area. Computational methods have improved to the extent of making possible to simulate the complete folding process of small proteins and the early stages of protein aggregation. Experimental methods have evolved to permit resolving fast processes of folding reactions and visualizing single molecules during folding. The findings from these novel experiments and detailed computer simulations have confirmed the main predictions of analytical theory of protein folding. In summary, protein folding research has finally acquired the status of a truly quantitative science, paving the way for more exciting developments in the near future. This unique book covers all the modern approaches and the many advances experienced in the field during the last 10 years. There is also much emphasis on computational methods and studies of protein aggregation which have really flourished in the last decade. It includes chapters in the areas that have witnessed major developments and are written by top experts including:computer simulations of folding, fast folding, single molecule spectroscopy, protein design, aggregation studies (both computational and experimental). Readers will obtain a unique perspective of the problems faced in the biophysical study of protein conformational behaviour in aqueous solution and how these problems are being solved with a multidisciplinary approach that combines theory, experiment and computer simulations. Protein Folding, Misfolding and Aggregation Classical Themes and Novel Approaches is essential reading for graduate students actively involved in protein folding research, other scientists interested in the recent progress of the field and instructors revamping the protein folding section of their biochemistry and biophysics courses.

Chemical Dynamics in Condensed Phases

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Author : Abraham Nitzan
Publisher : Oxford University Press
ISBN 13 : 9780198529798
Total Pages : 743 pages
Book Rating : 4.5/5 (297 download)

Book Synopsis Chemical Dynamics in Condensed Phases by : Abraham Nitzan

Download or read book Chemical Dynamics in Condensed Phases written by Abraham Nitzan and published by Oxford University Press. This book was released on 2006-04-06 with total page 743 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.

Simulations in Nanobiotechnology

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Author : Kilho Eom
Publisher : CRC Press
ISBN 13 : 1439835063
Total Pages : 562 pages
Book Rating : 4.4/5 (398 download)

Book Synopsis Simulations in Nanobiotechnology by : Kilho Eom

Download or read book Simulations in Nanobiotechnology written by Kilho Eom and published by CRC Press. This book was released on 2011-10-19 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Until the late 20th century, computational studies of biomolecules and nanomaterials had considered the two subjects separately. A thorough presentation of state-of-the-art simulations for studying the nanoscale behavior of materials, Simulations in Nanobiotechnology discusses computational simulations of biomolecules and nanomaterials together. Th

Ultrafast Phenomena VII

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Author : Charles B. Harris
Publisher : Springer Science & Business Media
ISBN 13 : 3642842690
Total Pages : 567 pages
Book Rating : 4.6/5 (428 download)

Book Synopsis Ultrafast Phenomena VII by : Charles B. Harris

Download or read book Ultrafast Phenomena VII written by Charles B. Harris and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent improvements in the performance of light sources, i.e. reduction in pulse length and increases in wavelength range and power levels, have led to ultrafast technology becoming a basic tool in a wide variety of scientific fields. This book describes the remarkable technological improvements and results of new applications in the natural sciences and various engineering fields.

Dynamics of Molecules and Chemical Reactions

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Author : Robert Wyatt
Publisher : CRC Press
ISBN 13 : 9780824795382
Total Pages : 692 pages
Book Rating : 4.7/5 (953 download)

Book Synopsis Dynamics of Molecules and Chemical Reactions by : Robert Wyatt

Download or read book Dynamics of Molecules and Chemical Reactions written by Robert Wyatt and published by CRC Press. This book was released on 1996-06-27 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.

Naval Research Reviews

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Author :
Publisher :
ISBN 13 :
Total Pages : 532 pages
Book Rating : 4.3/5 (121 download)

Book Synopsis Naval Research Reviews by :

Download or read book Naval Research Reviews written by and published by . This book was released on with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: