Download or read book Handbook of Gaussian Basis Sets written by Raymond Poirier and published by . This book was released on 1985 with total page 674 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Handbook of Gaussian Basis Sets written by Raymond Poirier and published by Elsevier Publishing Company. This book was released on 1985 with total page 696 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hardbound. An astonishing amount of work has been published in the field of Gaussian exponent optimization - a fact which will be clear to the reader when he leafs through the multitude of tables that represent the major body of this compendium. By bringing together all these basis sets for the first time in a single volume, the authors have prepared an invaluable reference work for all chemists involved in molecular Gaussian computations. A total of 1074 different basis sets has been created for atoms, from hydrogen to ytterbium. For carbon alone there are 86 different basis sets, 16 of which are listed with more than one contraction scheme, giving about 100 different ways to represent the carbon atom in molecular orbital calculations. A detailed listing of each basis set and several summary tables are given, allowing the reader quickly to reference all the basis sets of interest for every atom. Every effort has been made to collect all available
Download or read book Handbook of Gaussian Basis Sets written by Raymond Poirier and published by . This book was released on 1985 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gaussian Basis Sets for Molecular Calculations written by S. Huzinaga and published by Elsevier. This book was released on 2012-12-02 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Sciences Data, Volume 16: Gaussian Basis Sets for Molecular Calculations provides information pertinent to the Gaussian basis sets, with emphasis on lithium, radon, and important ions. This book discusses the polarization functions prepared for lithium through radon for further improvement of the basis sets. Organized into three chapters, this volume begins with an overview of the basis set for the most stable negative and positive ions. This text then explores the total atomic energies given by the basis sets. Other chapters consider the distinction between diffuse functions and polarization function. This book presents as well the exponents of polarization function. The final chapter deals with the Gaussian basis sets. This book is a valuable resource for chemists, scientists, and research workers.
Download or read book Handbook of Layered Materials written by Scott M. Auerbach and published by CRC Press. This book was released on 2004-03-23 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on layered compounds at the core of materials intercalation chemistry, this reference comprehensively explores clays and other classes of materials exhibiting the ability to pillar, or establish permanent intracrystalline porosity within layers. It offers an authoritative presentation of their fundamental properties as well as summaries of
Download or read book Gaussian Basis Sets for Molecular Calculations written by Sigeru Huzinaga and published by . This book was released on 1984 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gaussian Basis Sets for Molecular Calculations written by Sigeru Huzinaga and published by . This book was released on 1984 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gaussian Basis Sets for Molecular Calculations Volume 16 written by S. Huzinaga (ed) and published by . This book was released on 1984 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Handbook of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-14 with total page 1451 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.
Download or read book Handbook of Nanophysics written by Klaus D. Sattler and published by CRC Press. This book was released on 2010-09-17 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of nanoscience was pioneered in the 1980s with the groundbreaking research on clusters, which later led to the discovery of fullerenes. Handbook of Nanophysics: Clusters and Fullerenes focuses on the fundamental physics of these nanoscale materials and structures. Each peer-reviewed chapter contains a broad-based introduction and enhances
Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran and published by Springer Science & Business Media. This book was released on 2008-05-20 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Download or read book DFT A Formula Handbook written by N.B. Singh and published by N.B. Singh. This book was released on with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt: "DFT: A Formula Handbook" is an essential reference guide that distills the complexities of Discrete Fourier Transform (DFT) into clear and concise formulas. Covering key concepts such as signal processing, spectral analysis, and frequency domain representation, this handbook provides quick access to essential equations and principles needed for understanding and applying DFT in various fields. Whether you're a student, researcher, or professional in engineering, physics, or signal processing, this book serves as a valuable resource for mastering the fundamental aspects of DFT and its practical applications.
Download or read book High Quality Gaussian Basis Sets for Fourth row Atoms written by and published by . This book was released on 1992 with total page 78 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Science Handbook written by Allen B. Tucker and published by CRC Press. This book was released on 2004-06-28 with total page 2742 pages. Available in PDF, EPUB and Kindle. Book excerpt: When you think about how far and fast computer science has progressed in recent years, it's not hard to conclude that a seven-year old handbook may fall a little short of the kind of reference today's computer scientists, software engineers, and IT professionals need. With a broadened scope, more emphasis on applied computing, and more than 70 chap
Download or read book A Handbook of Density Functional Theory written by N.B. Singh and published by N.B. Singh. This book was released on with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt: "A Handbook of Density Functional Theory" serves as an accessible and comprehensive guide for absolute beginners venturing into the realm of theoretical chemistry and computational materials science. With clear explanations and practical examples, this book demystifies the fundamental concepts and techniques of Density Functional Theory (DFT), providing readers with the essential knowledge and skills needed to embark on their journey of understanding electronic structure calculations, molecular simulations, and material properties prediction. Whether you're a student, researcher, or enthusiast, this handbook offers a valuable resource to navigate the intricacies of DFT and unlock its potential in unraveling the mysteries of matter at the atomic and molecular level.
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
Download or read book Handbook on the Physics and Chemistry of Rare Earths written by Jean-Claude G. Bunzli and published by North Holland. This book was released on 2019-11 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Handbook on the Physics and Chemistry of Rare Earths: Including Actinides, Volume 56, is a continuous series of books covering all aspects of rare earth science, including chemistry, life sciences, materials science and physics. The book's main emphasis is on rare earth elements [Sc, Y, and the lanthanides (La through Lu], but whenever relevant, information is also included on the closely related actinide elements. Individual chapters in this release include Lanthanide Molecules for Spin-based Quantum Technologies, Modeling Intramolecular Energy Transfer in Lanthanide Chelates: A Critical Review and Recent Advances, and Superconducting Uranium-Based Materials. Presents up-to-date overviews and new developments in the field of rare earths, covering both their physics and chemistry Contains Individual chapters that are comprehensive and broad, along with critical reviews Provides contributions from highly experienced, invited experts
