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Calculation of vibronic magnetic rotational strengths in formaldehyde
- Source :
- The Journal of Chemical Physics. 60:1943-1951
- Publication Year :
- 1974
- Publisher :
- AIP Publishing, 1974.
-
Abstract
- The magnetic rotational strengths (MRS) associated with the non‐totally‐symmetric vibrations in formaldehyde are calculated with CNDO/2 wave functions. The effects of configuration interaction are examined. We have also identified a single term that dominates the MRS. This raises the possibility of an economy of thought in attempts at correlating MRS data with molecular structure in the case of magnetic dipole allowed transitions.
Details
- ISSN :
- 10897690 and 00219606
- Volume :
- 60
- Database :
- OpenAIRE
- Journal :
- The Journal of Chemical Physics
- Accession number :
- edsair.doi...........4931ef70ca1b936421815931a56fb394