[PDF.29rd] Graph Theoretical Approaches to Chemical Reactivity (Understanding Chemical Reactivity)

Graph Theoretical Approaches to Chemical Reactivity (Understanding Chemical Reactivity)

[PDF.dz47] Graph Theoretical Approaches to Chemical Reactivity (Understanding Chemical Reactivity)

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 | #14538861 in Books |  Springer |  2012-10-11 |  1994-06-30 | Original language:English | PDF # 1 |  9.45 x.68 x6.30l,.0 | File type: PDF | 283 pages

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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 q...

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