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A configuration interaction study of the spin dipole-dipole parameters for formaldehyde and methylene

โœ Scribed by Stephen R. Langhoff; Stephen T. Elbert; Professor Ernest R. Davidson

Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
892 KB
Volume
7
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

An Ab Initio calculation of the spin dip
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โœ Stephen R. Langhoff; Ernest R. Davidson ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 816 KB

## Abstract The electron spin dipoleโ€dipole interaction in CH~2~ has been calculated as a function of bond angle with configurationโ€interaction wave functions built from contracted gaussianlobe basis functions. The values __D__ = 0.781 cm^โˆ’1^ and __E__ = 0.050 cm^โˆ’1^ were obtained for the spin dipo

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The electronic absorption and fluorescence spectra of 2-hydroxy-4-methylquinoline (HMQ) have been recorded at room temperature (298 K) in solvents of different polarities. The spectral data have been used to evaluate the ground and first excited singlet state dipole moment using the solvatochromic s