Calculations of the lower excited electronic energy levels of cyclo butadiene and benzene-Reference-Cited by-同舟云学术

Calculations of the lower excited electronic energy levels of cyclo butadiene and benzene

Published:1953-12-22 Issue:1143 Volume:220 Page:530-541
ISSN:0080-4630
Container-title:Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
language:en
Short-container-title:Proc. R. Soc. Lond. A

Author:

Abstract

The method of atoms in molecules, as previously applied to calculations on the ethylene molecule, is now used to calculate the energies of the lower electronic levels of the cyclo butadiene and benzene molecules. The calculated excitation energies for the benzene molecule are compared with those determined from the observed spectrum. The results in this case are not so satisfactory as those obtained for the simpler ethylene molecule, but still compare favourably with the results by the ASMO method.

Publisher

The Royal Society

Subject

Pharmacology (medical)

Link

https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1953.0204

Reference14 articles.

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