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Analysis of infrared intensities in formaldehyde

โœ Scribed by G. Jalaovszky

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
361 KB
Volume
19
Category
Article
ISSN
0022-2860

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๐Ÿ“œ SIMILAR VOLUMES

Analytic mc scf infrared intensities: ap
Analytic mc scf infrared intensities: application to formaldehyde
โœ Byron H. Lengsfield III; Stephen Havriliak; Michael E. Colvin; Henry F. Schaefer ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 567 KB

Efficient, analytic methods to compute infrared intensities for general MC SCF wavefunctions are developed. These methods are used to compute the vibrational spectra of H&O with a variety of basis sets and MC SCF wavefunctions. The MC SCF spectra are compared with the experimental results of Nakanag