Abstract
The aim of this paper has been to introduce self-consistency into a general, but necessarily rather oversimplified, method of molecular orbitals. Thus the non-linearity of the equations (19) has enabled us to deal in a systematic way with the charge distribution and bond properties of different conjugated molecules in a variety of configurations. Further analysis is required before term values can be predicted. The electro-affinity scale which may be set up for both σ and π electron pair bonds by means of this method turns out to be identical with that of Mulliken. A general account of the configurational theory of molecular structure has been given in an introductory section.
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Dates
Type | When |
---|---|
Created | 18 years, 8 months ago (Dec. 18, 2006, 5:49 p.m.) |
Deposited | 4 years, 6 months ago (Feb. 20, 2021, 1:07 p.m.) |
Indexed | 4 days, 1 hour ago (Aug. 27, 2025, 11:39 a.m.) |
Issued | 76 years, 4 months ago (April 22, 1949) |
Published | 76 years, 4 months ago (April 22, 1949) |
Published Online | 28 years, 7 months ago (Jan. 1, 1997) |
Published Print | 76 years, 4 months ago (April 22, 1949) |
@article{1949, volume={196}, ISSN={2053-9169}, url={http://dx.doi.org/10.1098/rspa.1949.0042}, DOI={10.1098/rspa.1949.0042}, number={1047}, journal={Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences}, publisher={The Royal Society}, year={1949}, month=apr, pages={510–523} }