Open Daily: 10am - 10pm | Alley door pickup 10am - 7pm 3038 Hennepin Ave Minneapolis, MN
612-822-4611

  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Graph Theoretical Approaches to Chemical Reactivity

Graph Theoretical Approaches to Chemical Reactivity

Bonchev, Danail D.
Mekenyan, O. G.

Hardcover

Series: Understanding Chemical Reactivity, Book 9

ChemistryGeneral ComputersGeneral Mathematics

ISBN10: 079232837X
ISBN13: 9780792328377
Publisher: Springer Nature
Published: Jun 30 1994
Pages: 283
Weight: 1.31
Height: 0.69 Width: 6.14 Depth: 9.21
Language: English
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.

1 different editions

Also available

Also in

Chemistry

View All