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Resonating Valence-Bond Theory for Polyenes and Polyacetylene

M. A. Garcia-Bach ; Facultad de Fisica, Universidad de Barcelona, Diagonal 647, 08028 Barcelona, Spain
R. Valenti ; Facultad de Fisica, Universidad de Barcelona, Diagonal 647, 08028 Barcelona, Spain
S. A. Alexander ; Department of Physics, University of Florida, Gainesville, FL 32611, USA
D. J. Klein ; Texas A&M University at Galveston, Galveston, Texas, 77553-1675


Puni tekst: engleski pdf 17.452 Kb

str. 415-427

preuzimanja: 317

citiraj


Sažetak

Pauling’s resonating valence-bond concepts are selectively reviewed and illustratively utilized to describe the ground and low-lying homopolar states of polyenes. Our computations are found to support a simple picture dominated by just a few resonance structures and are in agreement with qualitative experimental observations.
Dedicated to Linus Pauling, Great Scientist, Teacher and Humanitarian

Ključne riječi

Hrčak ID:

137314

URI

https://hrcak.srce.hr/137314

Datum izdavanja:

31.12.1991.

Posjeta: 613 *