Author: Jack SimonsPublisher: Cambridge University Press
ISBN: 9780521530477
Category : Science
Languages : en
Pages : 484
Book Description
Textbook on modern theoretical chemistry suitable for advanced undergraduate or graduate students.
An Introduction to Theoretical Chemistry
Author: Jack SimonsPublisher: Cambridge University Press
ISBN: 9780521530477
Category : Science
Languages : en
Pages : 484
Book Description
Textbook on modern theoretical chemistry suitable for advanced undergraduate or graduate students.
Principles of Theoretical Chemistry
Author: Ira RemsenPublisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 348
Book Description
Theory and Applications of Computational Chemistry
Author: Clifford DykstraPublisher: Elsevier
ISBN: 0080456243
Category : Science
Languages : en
Pages : 1336
Book Description
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
Computational Chemistry
Author: Errol G. LewarsPublisher: Springer Science & Business Media
ISBN: 0306483912
Category : Science
Languages : en
Pages : 474
Book Description
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.
The Principles of theoretical chemistry
Author: Ira RemsenThe principles of theoretical chemistry ...
Author: Ira RemsenThe Principles of Theoretical Chemistry with Special Reference to the Constitution of Chemical Compounds
Author: Ira RemsenPrinciples of Theoretical Chemistry
Author: Ira RemsenPublisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 260
Book Description
Computational Chemistry and Molecular Modeling
Author: K. I. RamachandranPublisher: Springer Science & Business Media
ISBN: 3540773045
Category : Science
Languages : en
Pages : 405
Book Description
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.
Author: Ira Remsen