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Ab initio Molecular Orbital Calculations of the Ground and Excited States of the Permanganate and Chromate Ions

✍ Scribed by Hillier, I. H.; Saunders, V. R.


Book ID
120151527
Publisher
The Royal Society
Year
1970
Tongue
English
Weight
667 KB
Volume
320
Category
Article
ISSN
0962-8444

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Ab initio calculations of the excited st
✍ I.H. Hillier; V.R. Saunders πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 234 KB

The excited states of the permangaoate and chromate ions are described by better-than-mintimal basis set SCFMO CI calculations. Tbe results are compared with the experimental absorption spectra.