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The application of electronic digital computers to molecular orbital problems I. The calculation of bond lengths in aromatic hydrocarbons
H. O. Pritchard, F. H. Sumner
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Source: Crossref
Published: Oct 21, 1954
DOI: 10.1098/rspa.1954.0243
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Abstract The Manchester computer has been programmed for the complete solution of molecular orbital problems not including overlap. The technique is applied to the calculation of bond lengths in eight aromatic hydrocarbons using a self-consistent molecular orbital approximation, and the results are compared with existing experimental values.
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