Download or read book Dissertation Abstracts International written by and published by . This book was released on 1996 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Physics Briefs written by and published by . This book was released on 1986 with total page 914 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Comprehensive Dissertation Index Chemistry E O written by University Microfilms International and published by . This book was released on 1984 with total page 858 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Modeling of Chemical Reactions written by R.W. Carr and published by Elsevier. This book was released on 2007-09-04 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. - A solid introduction to kinetics - Material on computational quantum chemistry, an important new area for kinetics - Contains a chapter on construction of mechanisms, an approach only found in this book

Download or read book INIS Atomindeks written by and published by . This book was released on 1986 with total page 1390 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Faculties Publications and Doctoral Theses in Chemistry and Chemical Engineering at United States Universities written by American Chemical Society. Committee on Professional Training and published by . This book was released on 1991 with total page 1646 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Recent Developments and Applications of Modern Density Functional Theory written by Jorge M. Seminario and published by Elsevier. This book was released on 1996-11-18 with total page 863 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials.The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.

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Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2020-11-10 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

Download or read book Report written by Australian National University and published by . This book was released on 1988 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Sigma Molecular Orbital Theory written by Oktay Sinanoğlu and published by . This book was released on 1970-06 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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Download or read book Bridging the Time Scales written by Peter Nielaba and published by Springer Science & Business Media. This book was released on 2007-10-13 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike.

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Download or read book Relocating the History of Science written by Theodore Arabatzis and published by Springer. This book was released on 2015-05-19 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is put together in honor of a distinguished historian of science, Kostas Gavroglu, whose work has won international acclaim, and has been pivotal in establishing the discipline of history of science in Greece, its consolidation in other countries of the European Periphery, and the constructive dialogue of these emerging communities with an extended community of international scholars. The papers in the volume reflect Gavroglu’s broad range of intellectual interests and touch upon significant themes in recent history and philosophy of science. They include topics in the history of modern physical sciences, science and technology in the European periphery, integrated history and philosophy of science, historiographical considerations, and intersections with the history of mathematics, technology and contemporary issues. They are authored by eminent scholars whose academic and personal trajectories crossed with Gavroglu’s. The book will interest historians and philosophers of science and technology alike, as well as science studies scholars, and generally readers interested in the role of the sciences in the past in various geographical contexts.

Download or read book Non covalent Interactions written by Pavel Hobza and published by Royal Society of Chemistry. This book was released on 2010 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.