Download or read book Selected Theoretical Studies of Vibrational Anharmonicity and Thermochemistry written by Allan Leonard Leslie East and published by . This book was released on 1994 with total page 686 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 560 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

Download or read book Dissertation Abstracts International written by and published by . This book was released on 2003 with total page 812 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book American Doctoral Dissertations written by and published by . This book was released on 1993 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Computational Thermochemistry written by Karl K. Irikura and published by . This book was released on 1998 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprises 20 contributions which grew from the August 1996 symposium. Representative paper topics include estimating phase- change enthalpies and entropies, electrostatic-covalent model parameters for molecular modeling, complete basis-set thermochemistry and kinetics, modeling free energies of solvation and transfer, use of density functional methods to compute heats of reaction, and a density functional study of periodic trends in bond energies. Together the contributions describe all the major methods used for estimating or predicting molecular thermochemistry. Appends information on software and databases for thermochemistry, essential statistical thermodynamics, and worked examples. Annotation copyrighted by Book News, Inc., Portland, OR

Download or read book Preliminary Report on the Thermodynamic Properties of Selected Light element and Some Related Compounds written by United States. National Bureau of Standards and published by . This book was released on 1965 with total page 744 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Abstract" signed: Thomas B. Douglas, project leader.

Download or read book Lattice Dynamics written by Alexei A. Maradudin and published by . This book was released on 1969 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Chemical Thermodynamics of Zirconium written by and published by Elsevier. This book was released on 2005-12-06 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is part of the series on "Chemical Thermodynamics", published under the aegis of the OECD Nuclear Energy Agency. It contains a critical review of the literature on thermodynamic data for inorganic compounds of zirconium. A review team, composed of five internationally recognized experts, has critically reviewed all the scientific literature containing chemical thermodynamic information for the above mentioned systems. The results of this critical review carried out following the Guidelines of the OECD NEA Thermochemical Database Project have been documented in the present volume, which contains tables of selected values for formation and reaction thermodynamical properties and an extensive bibliography.* Critical review of all literature on chemical thermodynamics for compounds and complexes of Zr.* Tables of recommended Selected Values for thermochemical properties* Documented review procedure* Exhaustive bibliography* Intended to meet requirements of radioactive waste management community* Valuable reference source for the physical, analytical and environmental chemist.

Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field

Download or read book Advances in Quantum Chemistry written by John R. Sabin and published by Academic Press. This book was released on 2011-09-06 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: Approx.500 pagesApprox.500 pages

Download or read book JANAF Thermochemical Tables written by Dow Chemical Company. Thermal Research Laboratory and published by . This book was released on 1965 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Bulletin of Thermodynamics and Thermochemistry written by and published by . This book was released on 1973 with total page 694 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book The NBS Tables of Chemical Thermodynamic Properties written by Donald D. Wagman and published by . This book was released on 1982 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Energy Research Abstracts written by and published by . This book was released on 1988 with total page 872 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Quantum Mechanical Prediction of Thermochemical Data written by Jerzy Cioslowski and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs.

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 Thermodynamics of Minerals and Melts written by R.C. Newton and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Today large numbers of geoscientists apply thermodynamic theory to solu tions of a variety of problems in earth and planetary sciences. For most problems in chemistry, the application of thermodynamics is direct and rewarding. Geoscientists, however, deal with complex inorganic and organic substances. The complexities in the nature of mineralogical substances arise due to their involved crystal structure and multicomponental character. As a result, thermochemical solutions of many geological-planetological problems should be attempted only with a clear understanding of the crystal-chemical and thermochemical character of each mineral. The subject of physical geochemistry deals with the elucidation and application of physico-chemical principles to geosciences. Thermodynamics of mineral phases and crystalline solutions form an integral part of it. Developments in mineralogic thermody namics in recent years have been very encouraging, but do not easily reach many geoscientists interested mainly in applications. This series is to provide geoscientists and planetary scientists with current information on the develop ments in thermodynamics of mineral systems, and also provide the active researcher in this rapidly developing field with a forum through which he can popularize the important conclusions of his work. In the first several volumes, we plan to publish original contributions (with an abundant supply of back ground material for the uninitiated reader) and thoughtful reviews from a number of researchers on mineralogic thermodynamics, on the application of thermochemistry to planetary phase equilibria (including meteorites), and on kinetics of geochemical reactions.