Crossref journal-article
The Royal Society
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences (175)
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.

Bibliography

Molecular orbitals arid the Hartree field. (1949). Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 196(1047), 510–523.

Authors 0

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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)
Funders 0

None

@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} }