Download or read book Spectroscopy and Modeling of Biomolecular Building Blocks written by Jean-Pierre Schermann and published by Elsevier. This book was released on 2007-10-16 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopy and Modeling of Biomolecular Building Blocks presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment. The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwave, infrared and UV photons, time-resolved spectroscopy in the femtosecond domain and energy-resolved electron spectroscopy (II) and production of gas-phase neutral and ionic biomolecular species, mass-spectrometry, ion mobility and BIRD techniques (III). Chapter IV is devoted to case studies of gas-phase experimental investigations coupled to quantum or classical calculations. The topics are structural studies of nucleobases and oligonucleotides, peptides and proteins, sugars; neuromolecules; non-covalent complexes; chiral systems, interactions of low-energy electrons with biomolecules in the radiation chemistry context and very large gas-phase biomolecular systems. The fifth chapter concerns the link between gas-phase and liquid-phase. Different treatments of solvation are illustrated through examples pointing out the influence of progressive addition of water molecules upon properties of nucleobases, peptides, sugars and neuromolecules. - Offer a new perspective to the understanding of isolated elementary building blocks of bio molecules - Includes case studies of experimental investigations coupled to quantum or classical calculations

Download or read book Conical Intersections Theory Computation And Experiment written by Michael S Schuurman and published by World Scientific. This book was released on 2011-11-04 with total page 769 pages. Available in PDF, EPUB and Kindle. Book excerpt: The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview of the multi-faceted research on the role of conical intersections in photochemistry and photobiology, including basic theoretical concepts, novel computational strategies as well as innovative experiments. The contents and discussions will be of value to advanced students and researchers in photochemistry, molecular spectroscopy and related areas.

Download or read book Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards written by and published by . This book was released on 2008 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Ultrafast Phenomena in Molecular Sciences written by Rebeca de Nalda and published by Springer Science & Business Media. This book was released on 2013-10-22 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the latest developments in Femtosecond Chemistry and Physics for the study of ultrafast photo-induced molecular processes. Molecular systems, from the simplest H2 molecule to polymers or biological macromolecules, constitute central objects of interest for Physics, Chemistry and Biology, and despite the broad range of phenomena that they exhibit, they share some common behaviors. One of the most significant of those is that many of the processes involving chemical transformation (nuclear reorganization, bond breaking, bond making) take place in an extraordinarily short time, in or around the femtosecond temporal scale (1 fs = 10-15 s). A number of experimental approaches - very particularly the developments in the generation and manipulation of ultrashort laser pulses - coupled with theoretical progress, provide the ultrafast scientist with powerful tools to understand matter and its interaction with light, at this spatial and temporal scale. This book is an attempt to reunite some of the state-of-the-art research that is being carried out in the field of ultrafast molecular science, from theoretical developments, through new phenomena induced by intense laser fields, to the latest techniques applied to the study of molecular dynamics.

Download or read book Far Field Optical Nanoscopy written by Philip Tinnefeld and published by Springer. This book was released on 2015-02-07 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes developments in the field of super-resolution fluorescence microscopy or nanoscopy. In 11 chapters, distinguished scientists and leaders in their respective fields describe different nanoscopy approaches, various labeling technologies, and concrete applications. The topics covered include the principles and applications of the most popular nanoscopy techniques STED and (f)PALM/STORM, along with advances brought about by fluorescent proteins and organic dyes optimized for fluorescence nanoscopy. Furthermore, the photophysics of fluorescent labels is addressed, specifically for improving their photoswitching capabilities. Important applications are also discussed, such as the tracking and counting of molecules to determine acting forces in cells, and quantitative cellular imaging, respectively, as well as the mapping of chemical reaction centers at the nano-scale. The 2014 Chemistry Nobel Prize® was awarded for the ground-breaking developments of super-resolved fluorescence microscopy. In this book, which was co-edited by one of the prize winners, readers will find the most recent developments in this field.

Download or read book Chemistry for Sustainable Development written by Minu Gupta Bhowon and published by Springer. This book was released on 2014-02-23 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry for Sustainable Development is a collection of selected papers by the participants of the International Conference on Pure and Applied Chemistry (ICPAC 2010) on the theme of “Chemistry for Sustainable Development” held in Mauritius in July 2010. In light of the significant progresses and challenges in the development and implementation of green and sustainable chemistry, this volume reviews the recent results generated by a more efficient use of resources to minimize carbon footprints, to foster the eradication or minimisation of solvent use in chemistry, and to deliver processes which lead to increased harmony between chemistry and the environment. Chemistry for Sustainable Development is written for graduates, postgraduates, researchers in industry and academia who have an interest in the fields ranging from fundamental to applied chemistry.

Download or read book Handbook of Fluorescence Spectroscopy and Imaging written by Markus Sauer and published by John Wiley & Sons. This book was released on 2010-12-23 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing much-needed information on fluorescence spectroscopy and microscopy, this ready reference covers detection techniques, data registration, and the use of spectroscopic tools, as well as new techniques for improving the resolution of optical microscopy below the resolution gap. Starting with the basic principles, the book goes on to treat fluorophores and labeling, single-molecule fluorescence spectroscopy and enzymatics, as well as excited state energy transfer, and super-resolution fluorescence imaging. Examples show how each technique can help in obtaining detailed and refined information from individual molecular systems.

Download or read book Polyatomic Molecules written by Robert S. Mulliken and published by Elsevier. This book was released on 2012-12-02 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polyatomic Molecules: Results of Ab Initio Calculations describes the symmetry of polyatomic molecules in ground states. This book contains 12 chapters that also cover the excited and ionized states of these molecules. The opening chapter describes the nature of the various ab initio computational methods. The subsequent four chapters deal with the three-atom systems, differing with respect to the number of hydrogen atoms in the molecules. These chapters also discuss the reaction surfaces of these systems. These topics are followed by discussions on the molecules whose ground states belong to relatively high, little or no symmetry groups. The concluding chapters explore the inorganic and relatively large organic molecules. These chapters also examine the ab initio calculations of molecular compounds and complexes, as well as hydrogen bonding and ion hydration. This text will be of great value to organic and inorganic chemists and physicists.

Download or read book Intramolecular Charge Transfer written by Ramprasad Misra and published by John Wiley & Sons. This book was released on 2018-02-27 with total page 257 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bridging the gap between the multitude of advanced research articles and the knowledge newcomers to the field are looking for, this is a timely and comprehensive monograph covering the interdisciplinary topic of intramolecular charge transfer (ICT). The book not only covers the fundamentals and physico-chemical background of the ICT process, but also places a special emphasis on the latest experimental and theoretical studies that have been undertaken to understand this process and discusses key technological applications. After outlining the discovery of ICT molecules, the authors go on to discuss several important substance classes. They present the latest techniques for studying the underlying processes and show the interplay between charge transfer and the surrounding medium. Examples taken from nonlinear optics, viscosity and polarity sensors, and organic electronics testify to the vast range of applications. The result is a unique information source for experimentalists as well as theoreticians, from postgraduate students to researchers.

Download or read book Physics Briefs written by and published by . This book was released on 1986 with total page 934 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Fluorine and the Environment Agrochemicals Archaeology Green Chemistry and Water written by and published by Elsevier. This book was released on 2006-10-04 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Fluorine Science is a new book series presenting critical multidisciplinary overviews on areas in which fluorine and fluoride compounds have a decisive impact. The individual volumes of Advances in Fluorine Science are thematic, addressing comprehensively both the science and applications on topics including the Environment, Green chemistry, Medicine, Health & Life Sciences, New Technologies & Materials Science, Energy and the Earth Sciences. In the present volume, the key-position of fluoro-products in agriculture is reviewed, since a large percentage of agro-chemicals and pesticides contain at least one fluorine atom. However, improvements in the use of fluorine-based products in agrochemicals cannot be developed without taking into consideration a safer environment, on both levels of greener synthesis routes and a reduction of the negative impact on plants and organisms. Within this scope, fluorine has a very peculiar place, since its high reactivity yields several advantages, for instance in by-passing various polluting multi-step reactions. Fluorine-based materials are reviewed as efficient tools for protecting our cultural heritage. Also using up-to-date techniques such as ion beam analysis, this element can help relative dating applications, ranging from burial durations of archaeological bones and teeth to the determination of exposure ages of meteorites on the Antarctic ice shield. - Providing an original approach of the complex relationships between chemistry and the environment - Reviewing the key-position of fluoro-products in agriculture - Multidisciplinary contributions from chemists, geologists, biologists, environmentalists and industry staffs

Download or read book Multiconfigurational Quantum Chemistry written by Björn O. Roos and published by John Wiley & Sons. This book was released on 2016-08-08 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.

Download or read book Radiationless Processes written by Baldassare Di Bartolo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an account of the NATO Advanced Study Institute on "Radiationless Processes," held in Erice, Italy, from November 18 to December 1, 1979. This meeting was organized by the International School of Atomic and Molecular Spectroscopy of the "Ettore Majorana" Centre for Scientific Culture. The objective of the Institute was to formulate a comprehensive treatment of the various processes by which molecules and crystals in excited electronic levels relax nonradiatively to the ground level. A total of 83 participants came from 62 laboratories and 22 nations (Australia, Belgium, Brasil, Canada, Czechoslovakia, France, F. R. Germany, Greece, Hungary, India, Ireland, Israel, Italy, Mexico, The Netherlands, Poland, Portugal, Switzerland, Turkey, United Kingdom, United States, and U.S.S.R.). The secretaries of the Institute were: Velda Goldberg for the scientific aspects and Antonino La Francesca for the administrative aspects of the meeting. Eleven series of lectures for a total of 36 hours were given. Nine "long" seminars and 7 "short" seminars were also presented. In addition, two informal seminars and 2 round-table discussions were held. After an introductory overview of the theory of radiation1ess processes, the Institute dealt firstly with the interaction of electrons with the distribution of vibrational modes in simple molecules, then with the increasingly complex situation found in large lsolated molecules, gnd finally with the coupling of excited electrons with the continuous phonon distribution in insulating solids.

Download or read book Tutorials in Molecular Reaction Dynamics written by Mark Brouard and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.

Download or read book Angular Momentum written by Richard N. Zare and published by Wiley-Interscience. This book was released on 1988 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed as a learning tool for those with limited background in quantum mechanics, this book provides comprehensive coverage of angular momentum in quantum mechanics and its applications to chemistry and physics. Based on class-tested material, this presentation offers clear explanations of theory while giving equal attention to solving real problems. Theoretical considerations are made concrete and accessible through extensive examples and applications at the end of each chapter. Problem sets, designed as both individual and group exercises, are treated as an integral part of the text in order to stimulate student interest and clarify the abstract principles discussed. Examples are drawn primarily from atomic and molecular phenomena, and include many intermediate steps (often left out of other texts) to ensure complete mastery of the material, and to lay the groundwork for understanding photon and particle collision phenomena, and more advanced studies.

Download or read book Quantum Mechanical Study of Molecules written by Roop C. Sahni and published by . This book was released on 1964 with total page 56 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Tunnelling in Molecules written by Johannes Kästner and published by Royal Society of Chemistry. This book was released on 2020-09-22 with total page 453 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum tunnelling is one of the strangest phenomena in chemistry, where we see the wave nature of atoms acting in “impossible” ways. By letting molecules pass through the kinetic barrier instead of over it, this effect can lead to chemical reactions even close to the absolute zero, to atypical spectroscopic observations, to bizarre selectivity, or to colossal isotopic effects. Quantum mechanical tunnelling observations might be infrequent in chemistry, but it permeates through all its disciplines producing remarkable chemical outcomes. For that reason, the 21st century has seen a great increase in theoretical and experimental findings involving molecular tunnelling effects, as well as in novel techniques that permit their accurate predictions and analysis. Including experimental, computational and theoretical chapters, from the physical and organic to the biochemistry fields, from the applied to the academic arenas, this new book provides a broad and conceptual perspective on tunnelling reactions and how to study them. Quantum Tunnelling in Molecules is the obligatory stop for both the specialist and those new to this world.