Handbook of Computational Quantum Chemistry
Title | Handbook of Computational Quantum Chemistry PDF eBook |
Author | David B. Cook |
Publisher | Courier Corporation |
Pages | 852 |
Release | 2005-08-02 |
Genre | Science |
ISBN | 0486443078 |
This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Computational Quantum Chemistry
Title | Computational Quantum Chemistry PDF eBook |
Author | Masoud Soroush |
Publisher | Elsevier |
Pages | 386 |
Release | 2018-10-16 |
Genre | Science |
ISBN | 0128159847 |
Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications. - Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles - Accessibly presents CQC methods applicable to polymerization reactions - Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering
Mathematics for Quantum Chemistry
Title | Mathematics for Quantum Chemistry PDF eBook |
Author | Jay Martin Anderson |
Publisher | Courier Corporation |
Pages | 177 |
Release | 2012-12-13 |
Genre | Science |
ISBN | 0486151484 |
Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition.
Modern Quantum Chemistry
Title | Modern Quantum Chemistry PDF eBook |
Author | Attila Szabo |
Publisher | Courier Corporation |
Pages | 484 |
Release | 2012-06-08 |
Genre | Science |
ISBN | 0486134598 |
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Computational Chemistry
Title | Computational Chemistry PDF eBook |
Author | Errol G. Lewars |
Publisher | Springer Science & Business Media |
Pages | 474 |
Release | 2007-05-08 |
Genre | Science |
ISBN | 0306483912 |
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.
Computational Chemistry of Solid State Materials
Title | Computational Chemistry of Solid State Materials PDF eBook |
Author | Richard Dronskowski |
Publisher | John Wiley & Sons |
Pages | 300 |
Release | 2008-01-08 |
Genre | Science |
ISBN | 3527612297 |
This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of difficulty. Similarly, the use of mathematical equations is reduced to a minimum, focusing only on those important for experimentalists. Backed by many extensive tables containing detailed data for direct use in the calculations, this is the ideal companion for all those wishing to improve their work in solid state research.
Essentials of Computational Chemistry
Title | Essentials of Computational Chemistry PDF eBook |
Author | Christopher J. Cramer |
Publisher | John Wiley & Sons |
Pages | 624 |
Release | 2013-04-29 |
Genre | Science |
ISBN | 1118712277 |
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.