Values of molecular quadrupole moments are calculated using the CNDO/2 and INDO methods and compared with experiment and other calcuiations. Tbe agreement is good, except for ii systems both lineax and planar. Consideration of tbls disagreement suggests that use of RAO's which are less compressed pe
On the application of Saunders' level shifting technique to CNDO/2 calculations
β Scribed by G. Pongor
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 266 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0009-2614
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