Graph Theoretical Approaches to Chemical Reactivity is popular PDF and ePub book, written by Danail D. Bonchev in 2012-12-06, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Graph Theoretical Approaches to Chemical Reactivity can be Read Online from any device for your convenience.
Graph Theoretical Approaches to Chemical Reactivity Book PDF Summary
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.
Detail Book of Graph Theoretical Approaches to Chemical Reactivity PDF
- Author : Danail D. Bonchev
- Release : 06 December 2012
- Publisher : Springer Science & Business Media
- ISBN : 9789401112024
- Genre : Science
- Total Page : 291 pages
- Language : English
- PDF File Size : 16,7 Mb
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