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Ground states of conjugated molecules. XII. Improved calculations for compounds containing nitrogen or oxygen

โœ Scribed by Dewar, Michael J. S.; Morita, Toshifumi

Book ID
127384618
Publisher
American Chemical Society
Year
1969
Tongue
English
Weight
819 KB
Volume
91
Category
Article
ISSN
0002-7863

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๐Ÿ“œ SIMILAR VOLUMES

Ground states of molecules. 64.MNDO Calc
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โœ Michael J. S. Dewar; Eamonn Healy ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 442 KB

MNDO has been parametrized for bromine. Since d atomic orbitals (AOs) are not included, the calculations are restricted to Br'. Heats of formation, molecular geometries, ionization energies, and dipole moments are reproduced with useful accuracy.

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