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Download Aiding Experimental Characterization Of Small Molecules Through The Mapping Of Potential Energy Hypersurfaces full books in PDF, epub, and Kindle. Read online Aiding Experimental Characterization Of Small Molecules Through The Mapping Of Potential Energy Hypersurfaces ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
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Publisher :
ISBN 13 :
Total Pages : 876 pages
Book Rating : 4.F/5 ( download)
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1997 with total page 876 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Martin Quack
Publisher : John Wiley & Sons
ISBN 13 : 0470066539
Total Pages : 2236 pages
Book Rating : 4.4/5 (7 download)
Download or read book Handbook of High-resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
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ISBN 13 :
Total Pages : 1162 pages
Book Rating : 4.3/5 (129 download)
Download or read book Energy Research Abstracts written by and published by . This book was released on 1977 with total page 1162 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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ISBN 13 :
Total Pages : 634 pages
Book Rating : 4.F/5 ( download)
Download or read book Summaries of FY ... Research in the Chemical Sciences written by and published by . This book was released on 1985 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Frank Jensen
Publisher : John Wiley & Sons
ISBN 13 : 1118825950
Total Pages : 1056 pages
Book Rating : 4.1/5 (188 download)
Download or read book Introduction to Computational Chemistry written by Frank Jensen and published by John Wiley & Sons. This book was released on 2016-12-14 with total page 1056 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
Author : Dmitri Fedorov
Publisher : CRC Press
ISBN 13 : 1420078496
Total Pages : 304 pages
Book Rating : 4.4/5 (2 download)
Download or read book The Fragment Molecular Orbital Method written by Dmitri Fedorov and published by CRC Press. This book was released on 2009-05-14 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie
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ISBN 13 :
Total Pages : 972 pages
Book Rating : 4.:/5 (31 download)
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1988 with total page 972 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Hans-Beat Bürgi
Publisher : John Wiley & Sons
ISBN 13 : 352761608X
Total Pages : 936 pages
Book Rating : 4.5/5 (276 download)
Download or read book Structure Correlation written by Hans-Beat Bürgi and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 936 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book leaves the conventional view of chemical structures far behind: it demonstrates how a wealth of valuable, but hitherto unused information can be extracted from available structural data. For example, a single structure determination does not reveal much about a reaction pathway, but a sufficiently large number of comparable structures does. Finding the 'right' question is as important as is the intelligent use of crystallographic databases. Contributions by F.H. Allen, T.L. Blundell, I.D. Brown, H.B. Bürgi, J.D. Dunitz, L. Leiserowitz and others, authoritatively discuss the structure correlation method as well as illustrative results in detail, covering such apparently unrelated subjects as * Bond strength relations in soldis * Crystal structure prediction * Reaction pathways of organic molecules * Ligand/receptor interactions and enzyme mechanisms This book will be useful to the academic and industrial reader alike. It offers both fundamental aspects and diverse applications of what will surely become a powerful branch of structural chemistry.
Author : Christopher J. Cramer
Publisher : John Wiley & Sons
ISBN 13 : 1118712277
Total Pages : 624 pages
Book Rating : 4.1/5 (187 download)
Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2013-04-29 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Author : Errol G. Lewars
Publisher : Springer Science & Business Media
ISBN 13 : 0306483912
Total Pages : 474 pages
Book Rating : 4.3/5 (64 download)
Download or read book Computational Chemistry written by Errol G. Lewars and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Author : The Nuclear Magnetic Resonance Society of Japan
Publisher : Springer
ISBN 13 : 9811059667
Total Pages : 634 pages
Book Rating : 4.8/5 (11 download)
Download or read book Experimental Approaches of NMR Spectroscopy written by The Nuclear Magnetic Resonance Society of Japan and published by Springer. This book was released on 2017-11-23 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the advanced developments in methodology and applications of NMR spectroscopy to life science and materials science. Experts who are leaders in the development of new methods and applications of life and material sciences have contributed an exciting range of topics that cover recent advances in structural determination of biological and material molecules, dynamic aspects of biological and material molecules, and development of novel NMR techniques, including resolution and sensitivity enhancement. First, this book particularly emphasizes the experimental details for new researchers to use NMR spectroscopy and pick up the potentials of NMR spectroscopy. Second, the book is designed for those who are involved in either developing the technique or expanding the NMR application fields by applying them to specific samples. Third, the Nuclear Magnetic Resonance Society of Japan has organized this book not only for NMR members of Japan but also for readers worldwide who are interested in using NMR spectroscopy extensively.
Author : Michael Kotelyanskii
Publisher : CRC Press
ISBN 13 : 0824751310
Total Pages : 572 pages
Book Rating : 4.8/5 (247 download)
Download or read book Simulation Methods for Polymers written by Michael Kotelyanskii and published by CRC Press. This book was released on 2004-03-01 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Peter Politzer
Publisher : Springer Science & Business Media
ISBN 13 : 147579634X
Total Pages : 473 pages
Book Rating : 4.4/5 (757 download)
Download or read book Chemical Applications of Atomic and Molecular Electrostatic Potentials written by Peter Politzer and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: On March 26-27, 1980, a symposium organized by one of us (P. P. ) was held at the l79th American Chemical Society National ~1eeting in Houston, Texas, under the sponsorship of the Theoretical Chemistry Subdivision of the Division of Physical Chemistry. The symposium was entitled "The Role of the Electrostatic Potential in Chemistry," and it served as a stimulus for this book. The original scope and coverage have been broadened, however; included here, in addition to contributions from the eleven invited symposium speakers and two of the poster-session participants, are four papers that were specially invited for this book. Furthermore, several authors have taken this opportunity to present at least partial reviews of the areas being discussed. Most of the manuscripts were completed in the late spring and early summer of 1980. We hope that this book will achieve two goals: First, we are trying to provide an overall picture, including recent advances, of current chemical research, both fundamental and applied, involving the electrostatic potential. Second, we want to convey an appreci ation of both the powers and also the limitations of the electro static potential approach. In order to achieve these goals, we have selected contributors whose research areas provide a very broad coverage of the field. Throughout the book, we have used a. u.
Author : Sidney Yip
Publisher : Springer Science & Business Media
ISBN 13 : 1402032862
Total Pages : 2903 pages
Book Rating : 4.4/5 (2 download)
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
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Publisher : Elsevier
ISBN 13 : 0128098945
Total Pages : 5276 pages
Book Rating : 4.1/5 (28 download)
Download or read book Encyclopedia of Interfacial Chemistry written by and published by Elsevier. This book was released on 2018-03-29 with total page 5276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Author : Bernd Markert
Publisher : Springer
ISBN 13 : 3319143557
Total Pages : 295 pages
Book Rating : 4.3/5 (191 download)
Download or read book Chemical Evolution written by Bernd Markert and published by Springer. This book was released on 2015-02-19 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is written for researchers and students interested in the function and role of chemical elements in biological or environmental systems. Experts have long known that the Periodic System of Elements (PSE) provides only an inadequate chemical description of elements of biological, environmental or medicinal importance. This book explores the notion of a Biological System of the Elements (BSE) established on accurate and precise multi-element data, including evolutionary aspects, representative sampling procedures, inter-element relationships, the physiological function of elements and uptake mechanisms. The book further explores the concept Stoichiometric Network Analysis (SNA) to analyze the biological roles of chemical species. Also discussed is the idea of ecotoxicological identity cards which give a first-hand description of properties relevant for biological and toxicological features of a certain chemical element and its geo biochemically plausible speciation form. The focus of this book goes beyond both classical bioinorganic chemistry and toxicology.
Author : Carlo Cercignani
Publisher : OUP Oxford
ISBN 13 : 0191606987
Total Pages : 348 pages
Book Rating : 4.1/5 (916 download)
Download or read book Ludwig Boltzmann written by Carlo Cercignani and published by OUP Oxford. This book was released on 2006-01-12 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the life and personality, the scientific and philosophical work of Ludwig Boltzmann, one of the great scientists who marked the passage from 19th- to 20th-Century physics. His rich and tragic life, ending by suicide at the age of 62, is described in detail. A substantial part of the book is devoted to discussing his scientific and philosophical ideas and placing them in the context of the second half of the 19th century. The fact that Boltzmann was the man who did most to establish that there is a microscopic, atomic structure underlying macroscopic bodies is documented, as is Boltzmann's influence on modern physics, especially through the work of Planck on light quanta and of Einstein on Brownian motion. Boltzmann was the centre of a scientific upheaval, and he has been proved right on many crucial issues. He anticipated Kuhn's theory of scientific revolutions and proposed a theory of knowledge based on Darwin. His basic results, when properly understood, can also be stated as mathematical theorems. Some of these have been proved: others are still at the level of likely but unproven conjectures. The main text of this biography is written almost entirely without equations. Mathematical appendices deepen knowledge of some technical aspects of the subject.
