Download or read book The 3B1 1A1 Transition of Sulfur Dioxide Gas and the Spectrum of Sulfur Dioxide Crystals written by John Peter Vikesland and published by . This book was released on 1974 with total page 198 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Infrared Spectra of Molecular Crystals written by Robert Newman Wiener and published by . This book was released on 1956 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Study of the Electronic Transitions of Sulfur Dioxide written by Ivan Warren Watkins and published by . This book was released on 1968 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Infrared Spectrum and Molecular Constants of Sulfer Dioxide written by Russell D. Shelton and published by . This book was released on 1953 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Silver Nanoparticles in the Environment written by Jingfu Liu and published by Springer. This book was released on 2015-04-02 with total page 161 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive book covers the environmental issues concerning silver nanoparticles (AgNPs). Following an introduction to the history, properties and applications, the environmental concerns of AgNPs is discussed. In the second chapter, the separation, characterization and quantification of AgNPs in environment samples are described in detail. In the remaining parts of the book, the authors focus on the environmental processes and effects of AgNPs, with chapters on the pathway into environment, fate and transport, toxicological effects and mechanisms, as well as the environmental bioeffects and safety-assessment of AgNPs in the environment. This book is designed to describe current understanding of the environmental aspects of AgNPs. It provides a valuable resource to students and researchers in environmental science and technology, nanotechnology, toxicology, materials science and ecology; as well as to professionals involved in the production and consumption of AgNPs in various areas including catalysis, food products, textiles/fabrics, and medical products and devices. Jingfu Liu and Guibin Jiang are professors at State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences.
Download or read book Quantities Units and Symbols in Physical Chemistry written by International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division and published by Royal Society of Chemistry. This book was released on 2007 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Prepared by the IUPAC Physical Chemistry Division this definitive manual, now in its third edition, is designed to improve the exchange of scientific information among the readers in different disciplines and across different nations. This book has been systematically brought up to date and new sections added to reflect the increasing volume of scientific literature and terminology and expressions being used. The Third Edition reflects the experience of the contributors with the previous editions and the comments and feedback have been integrated into this essential resource. This edition has been compiled in machine-readable form and will be available online.
Download or read book Core Level Spectroscopy of Solids written by Frank de Groot and published by CRC Press. This book was released on 2008-03-10 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: Core level spectroscopy has become a powerful tool in the study of electronic states in solids. From fundamental aspects to the most recent developments, Core Level Spectroscopy of Solids presents the theoretical calculations, experimental data, and underlying physics of x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS), x
Download or read book A Chemist s Guide to Valence Bond Theory written by Sason S. Shaik and published by John Wiley & Sons. This book was released on 2007-12-04 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.
Download or read book Methods of Electronic Structure Theory written by Henry F. Schaefer and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3.
Download or read book Complementary Bonding Analysis written by Simon Grabowsky and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-04-06 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: As chemical bonds are not observable, there are various theories and models for their description. This book presents a selection of conceptually very different and historically competing views on chemical bonding analysis from quantum chemistry and quantum crystallography. It not only explains the principles and theories behind the methods, but also provides practical examples of how to derive bonding descriptors with modern software and of how to interpret them.
Download or read book Flavin Dependent Enzymes Mechanisms Structures and Applications written by and published by Academic Press. This book was released on 2020-09-21 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Enzymes, Volume 47, highlights new advances in the field, with this new volume presenting interesting chapters on The Multipurpose Family of Oxidases, Vanillyl alcohol oxidase, Choline oxidases, Aryl alcohol oxidase, D- and L-amino acid oxidases, Sugar oxidases, Phenolic Compounds hydroxylases, Baeyer-Villiger Monooxygenases, Flavin-dependent halogenases, Flavin-dependent dehalogenases, Styrene Monooxygenases, Bacterial luciferases, Cellobiose Dehydrogenases, Prenylated flavoenzymes, Ene-reductases, Flavoenzymes in Biocatalysis. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in The Enzymes series
Download or read book A Chemist s Guide to Density Functional Theory written by Wolfram Koch and published by John Wiley & Sons. This book was released on 2015-11-18 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!" Paul von Rague Schleyer "A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems." J. F. Stanton, J. Am. Chem. Soc. "The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably." P. C. H. Mitchell, Appl. Organomet. Chem. "The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems." M. Kaupp, Angew. Chem.
Download or read book EPR Spectroscopy written by Daniella Goldfarb and published by John Wiley & Sons. This book was released on 2018-04-30 with total page 67 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique, self-contained resource is the first volume on electron paramagnetic resonance (EPR) spectroscopy in the eMagRes Handbook series. The 27 chapters cover the theoretical principles, the common experimental techniques, and many important application areas of modern EPR spectroscopy. EPR Spectroscopy: Fundamentals and Methods is presented in four major parts: A: Fundamental Theory, B: Basic Techniques and Instrumentation, C: High-Resolution Pulse Techniques, and D: Special Techniques. The first part of the book gives the reader an introduction to basic continuous-wave (CW) EPR and an overview of the different magnetic interactions that can be determined by EPR spectroscopy, their associated theoretical description, and their information content. The second provides the basics of the various EPR techniques, including pulse EPR, and EPR imaging, along with the associated instrumentation. Parts C and D builds on parts A and B and offer introductory accounts of a wide range of modern advanced EPR techniques, with examples of applications. The last two parts presents most of the new advances that do not appear in most of the classical EPR textbooks that focus on CW EPR. EPR Spectroscopy: Fundamentals and Methods contains, in concise form, all the material needed to understand state-of-the-art EPR spectroscopy at the graduate school/research level, whilst the editors have ensured that it presents the topic at a level accessible to newcomers to the field and others who want to know its range of application and how to apply it.
Download or read book Electron Collision Processes in Atomic and Molecular Physics written by P. C. Minaxi Vinodkumar and published by . This book was released on 2014 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contains expertise articles on emerging research areas in the field of atomic and molecular interactions with charge particles in general. The different topics presented include a wide range from ab-initio methods to complex quantum mechanical calculations apart from experimental measurements of various collision cross sections. The power of modern computational techniques and the latest experimental status and facilities covered in this book will be very useful for all those who are interested to choose a research career in atomic and molecular physics. The cross section data for wide energy range presented in this volume covers simple molecules to very complex molecules of biological relevance. It is important to note that such collision data will find applications in environmental science, semiconductor physics, plasma physics, astro-chemistry, radio-biology etc. The articles are authored by leading researchers and I am sure that this volume will provide information, inspiration and new directions both to the experts and beginners alike.
Download or read book Molecular Electronic Structure Theory written by Trygve Helgaker and published by John Wiley & Sons. This book was released on 2014-08-11 with total page 949 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
Download or read book Magnetic Interactions in Molecules and Solids written by Coen de Graaf and published by Springer. This book was released on 2015-09-04 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook is the second volume in the Theoretical Chemistry and Computational Modeling series and aims to explain the theoretical basis of magnetic interactions at a level that will be useful for master students in physical, inorganic and organic chemistry. The book gives a treatment of magnetic interactions in terms of the phenomenological spin Hamiltonians that have been such powerful tools for chemistry and physics in the past half century, starting from the simple Heisenberg and Ising Hamiltonians and ending with Hamiltonians that include biquadratic, cyclic or anisotropic exchange. On the other hand, it also explains how quantum chemical methods, reaching from simple mean field methods to accurate models that include the effects of electron correlation and spin-orbit coupling, can help to understand the magnetic properties. Connecting the two perspectives is an essential aspect of the book, since it leads to a deeper understanding of the relation between physical phenomena and basic properties. It also makes clear that in many cases one can derive magnetic coupling parameters not only from experiment, but also from accurate ab initio calculations. The book starts with introducing a selection of basic concepts and tools. Throughout the book the text is interlarded with exercises, stimulating the students to not only read but also verify the assertions and perform (parts of) the derivations by themselves. In addition, each chapter ends with a number of problems that can be used to check whether the material has been understood.
Download or read book Conical Intersections written by Wolfgang Domcke and published by World Scientific. This book was released on 2004 with total page 857 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.
