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
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.
This is the third edition of the successful text-reference book that covers computational chemistry.
The TACC conference deals with the theoretical methods and application of computational chemistry. The theoretical aspects include development of computational and statistical techniques, quantum and statistical mechanical methods that could...
Sherer, E. C., Kinsinger, C. R., Kormos, B. L., Thompson, J. D., and Cramer, C. J. 2002. Angew. Chem, Int. Ed. Engl., 41, 1953. Storer, J. W., Giesen, D. J., Cramer, C. J., and Truhlar, D. G. 1995. J. Comput.-Aid. Mol. Des, 9, 87.
Computational Chemistry: Introduction To The Theory And Applications Of Molecular And Quantum Mechanics
"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn.
Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium : International Congress TACC-2012, Pavia, Italy, 2-7...
This challenges the theoretical community to develop innovative methods for better interpreting experimental results. Normal Mode Analysis (NMA) is one such technique
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.
This book and CD-ROM makes a valuable companion for instructors, course designers, and students.