| Graph Theoretical Approaches to Chemical Reactivity Softcover Repri Edition Contributor(s): Bonchev, Danail D. (Editor), Mekenyan, O. G. (Editor) |
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ISBN: 9401045267 ISBN-13: 9789401045261 Publisher: Springer OUR PRICE: $161.49 Product Type: Paperback - Other Formats Published: October 2012 |
| Additional Information |
| BISAC Categories: - Science | Chemistry - Physical & Theoretical - Mathematics | Discrete Mathematics - Computers | Data Processing |
| Dewey: 541.394 |
| Series: Understanding Chemical Reactivity |
| Physical Information: 0.63" H x 6.14" W x 9.21" (0.93 lbs) 283 pages |
| Descriptions, Reviews, Etc. |
| Publisher Description: The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic structure to molecular geometry have not progressed at the same pace. There is a continuing need in chemistry for simple concepts and qualitatively clear pictures that are also quantitatively comparable to ab initio quantum chemical calculations. Topological methods and, more specifically, graph theory as a fixed-point topology, provide in principle a chance to fill this gap. With its more than 100 years of applications to chemistry, graph theory has proven to be of vital importance as the most natural language of chemistry. The explosive development of chemical graph theory during the last 20 years has increasingly overlapped with quantum chemistry. Besides contributing to the solution of various problems in theoretical chemistry, this development indicates that topology is an underlying principle that explains the success of quantum mechanics and goes beyond it, thus promising to bear more fruit in the future. |