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Author : Ronald Carl Cohen
Publisher :
ISBN 13 :
Total Pages : 532 pages
Book Rating : 4.:/5 (33 download)
Download or read book Determination of Multidimensional Intermolecular Potential Energy Surfaces written by Ronald Carl Cohen and published by . This book was released on 1991 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Matthew John Elrod
Publisher :
ISBN 13 :
Total Pages : 614 pages
Book Rating : 4.:/5 (33 download)
Download or read book Intermolecular Potential Energy Surfaces from Far Infrared Laser Spectroscopy of Weakly Bound Complexes written by Matthew John Elrod and published by . This book was released on 1994 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Donald Truhlar
Publisher : Springer Science & Business Media
ISBN 13 : 1475717350
Total Pages : 859 pages
Book Rating : 4.4/5 (757 download)
Download or read book Potential Energy Surfaces and Dynamics Calculations written by Donald Truhlar and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 859 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.
Author : Minhaeng Cho
Publisher : Springer
ISBN 13 : 9811397538
Total Pages : 404 pages
Book Rating : 4.8/5 (113 download)
Download or read book Coherent Multidimensional Spectroscopy written by Minhaeng Cho and published by Springer. This book was released on 2019-08-06 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book will fulfill the needs of time-domain spectroscopists who wish to deepen their understanding of both the theoretical and experimental features of this cutting-edge spectroscopy technique. Coherent Multidimensional Spectroscopy (CMDS) is a state-of-the-art technique with applications in a variety of subjects like chemistry, molecular physics, biochemistry, biophysics, and material science. Due to dramatic advancements of ultrafast laser technologies, diverse multidimensional spectroscopic methods utilizing combinations of THz, IR, visible, UV, and X-ray radiation sources have been developed and used to study real time dynamics of small molecules in solutions, proteins and nucleic acids in condensed phases and membranes, single and multiple excitons in functional materials like semiconductors, quantum dots, and solar cells, photo-excited states in light-harvesting complexes, ions in battery electrolytes, electronic and conformational changes in charge or proton transfer systems, and excess electrons and protons in water and biological systems.
Author : Anthony J. Stone
Publisher : Oxford University Press, USA
ISBN 13 : 0199672393
Total Pages : 352 pages
Book Rating : 4.1/5 (996 download)
Download or read book The Theory of Intermolecular Forces written by Anthony J. Stone and published by Oxford University Press, USA. This book was released on 2013-01-31 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Theory of Intermolecular Forces sets out the mathematical techniques needed to describe and calculate intermolecular interactions in physics and chemistry, and to handle the more elaborate mathematical models used to represent them.
Author :
Publisher :
ISBN 13 :
Total Pages : 390 pages
Book Rating : 4.E/5 ( download)
Download or read book The Ohio State University International Symposium on Molecular Spectroscopy written by and published by . This book was released on 1995 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Royal Society of Chemistry
ISBN 13 :
Total Pages : 538 pages
Book Rating : 4.F/5 ( download)
Download or read book Cluster Dynamics written by and published by Royal Society of Chemistry. This book was released on 2001 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dynamical processes in a cluster environment are presented. The experimental and theoretical papers include work on: reactions of clusters, photodynamics, caging effects, tunneling, global potential energy surfaces, transition state spectroscopy and reactions induced by clustering. Faraday Discussions documents a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.
Author : Jean-Louis Calais
Publisher : Springer Science & Business Media
ISBN 13 : 9401155720
Total Pages : 562 pages
Book Rating : 4.4/5 (11 download)
Download or read book Conceptual Perspectives in Quantum Chemistry written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470126191
Total Pages : 364 pages
Book Rating : 4.4/5 (71 download)
Download or read book Reviews in Computational Chemistry, Volume 15 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society
Author : Abby L. Parrill
Publisher : John Wiley & Sons
ISBN 13 : 1119518024
Total Pages : 368 pages
Book Rating : 4.1/5 (195 download)
Download or read book Reviews in Computational Chemistry, Volume 31 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2018-11-06 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics
Author : American Chemical Society. Committee on Professional Training
Publisher :
ISBN 13 : 9780841227231
Total Pages : 1700 pages
Book Rating : 4.2/5 (272 download)
Download or read book ACS Directory of Graduate Research 1993 written by American Chemical Society. Committee on Professional Training and published by . This book was released on 1993 with total page 1700 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : M. Yu. Tretyakov
Publisher : Cambridge Scholars Publishing
ISBN 13 : 1527577406
Total Pages : 425 pages
Book Rating : 4.5/5 (275 download)
Download or read book High Accuracy Resonator Spectroscopy of Atmospheric Gases at Millimetre and Submillimetre Waves written by M. Yu. Tretyakov and published by Cambridge Scholars Publishing. This book was released on 2021-11-12 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is devoted to the most efficient method of obtaining spectroscopic parameters characterising the absorption of microwave radiation by the Earth’s atmosphere. It explores why this field of science is interesting and important for humanity, and details the basics of gas phase molecular spectroscopy. The book also shows the advantages of the resonator spectroscopy technique for quantitative molecular analysis, and reviews the best-known investigations of diagnostic atmospheric lines and the continuum in the millimetre and submillimetre-wave range. It will appeal to a wide range of specialists in the fields of spectroscopy, atmospheric physics, and millimetre and submillimetre-wave techniques, and will be helpful for lecturers and students concerned with these specialised courses.
Author : Martin Gaykovich Khublaryan
Publisher : EOLSS Publications
ISBN 13 : 1905839227
Total Pages : 466 pages
Book Rating : 4.9/5 (58 download)
Download or read book Types and Properties of Water - Volume I written by Martin Gaykovich Khublaryan and published by EOLSS Publications. This book was released on 2009-06-30 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Types and Properties of Water in two volumes is a component of Encyclopedia of Water Sciences, Engineering and Technology Resources in the global Encyclopedia of Life Support Systems (EOLSS), which is an integrated compendium of twenty one Encyclopedias. These volumes deal with different parts of the hydrosphere and features of water as substance in its three phases. Natural water is one of the most important substances for the maintenance of life on our planet. The main part of the Earth's water is concentrated in the hydrosphere (oceans, lakes, streams, underground water), and in the cryosphere (all the snow and ice). The atmosphere and living organisms also contain water, but in minor quantities as compared to the whole hydrosphere. Several types of water are in the Nature: atmospheric water, water in oceans, seas, coastal zones, and estuaries; in rivers, reservoirs, lakes and wetlands; groundwater including soil waters; glaciers, icebergs, and ground ice (permafrost). This set of volumes is designed to be a very authoritative reference for state-of-the-art knowledge on the various aspects such as: Characteristics of Water and Water Bodies in the Natural Environment; Properties of Atmospheric Water; Properties of Oceans, Inland Seas, Coastal Zones, and Estuaries; Properties of Rivers, Streams, Lakes and Wetlands; Properties of Soil Water and Groundwater; Properties Of Glacial, Iceberg And Permafrost Water. These two volumes are aimed at the following five major target audiences: University and College students Educators, Professional practitioners, Research personnel and Policy analysts, managers, and decision makers and NGOs.
Author :
Publisher :
ISBN 13 :
Total Pages : 992 pages
Book Rating : 4.F/5 ( download)
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2000 with total page 992 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kikuo Cho
Publisher : World Scientific
ISBN 13 : 9789812811387
Total Pages : 506 pages
Book Rating : 4.8/5 (113 download)
Download or read book Proceedings of 2000 International Conference on Excitonic Processes in Condensed Matter written by Kikuo Cho and published by World Scientific. This book was released on 2001 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: At Yamada Conference LIII, papers on many novel materials and on novel phenomena in condensed matter physics were presented OCo for instance, the achievement of simultaneous creation of excitons and free-electron-hole pairs in rare gas solids, and a low frequency fluctuation of the spectral shift of indirect excitons in GaAs coupled quantum wells. Single molecule spectroscopy is a powerful tool for studying molecules including biological systems; the study of delocalization of excitons in the photosynthetic light harvesting antenna system was also reported. The proceedings thus contain many excellent papers dealing with current research topics on the excitonic processes in bulk, quantum wells, quantum dots and other confined systems. This book will serve as an excellent source of recent references and reviews for a wide range of researchers in physics, chemistry, engineering and biological sciences. The proceedings have been selected for coverage in: . OCo Index to Scientific & Technical Proceedings (ISTP CDROM version / ISI Proceedings). Contents: Dynamical Process of Photoionization in Semiconductor Nanocrystals (M Y Shen et al.); Excitons on a 1D Periodic Conjugated Polymer Chain: Two Electronic Structures of Polydiacetylene Chains (C Lapersonne-Meyer); Anomalous Spectral Shifts of Indirect Excitons in Coupled GaAs Quantum Wells (D W Snoke et al.); Infrared Absorption by Excitons in Cuprous Oxide (M GAppert et al.); Theory of Excitation-Energy Transfer Processes Involving Optically Forbidden Exciton States in Antenna Systems of Photosynthesis (K Mukai et al.); Transient Grating Induced by Excitonic Polaritons in Thin Film Semiconductors (K Akiyama et al.); Excitonic Photoluminescence of Pentacene Single Crystal (T Aoki-Matsumoto et al.); Scanning Near-Field Optical Microspectroscopy of Single Perylene Microcrystals (J Niitsuma et al.); and other papers. Readership: Condensed matter physicists, materials scientists, chemists and biologists."
Author :
Publisher :
ISBN 13 :
Total Pages : 1036 pages
Book Rating : 4.:/5 (318 download)
Download or read book Faraday Discussions of the Chemical Society written by and published by . This book was released on 2001 with total page 1036 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : National Institute of Standards and Technology (U.S.)
Publisher :
ISBN 13 :
Total Pages : 1162 pages
Book Rating : 4.3/5 (243 download)
Download or read book Publications of the National Institute of Standards and Technology ... Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1994 with total page 1162 pages. Available in PDF, EPUB and Kindle. Book excerpt:
