Highly precise rotational constants are often used in the substitution method (through Kraitchman's equations) to calculate atomic coordinates with an allegedly marvelous precision. The accuracy of Kraitchman's equations is investigated and it is found that it deteriorates when the mass of the molec
How reliable is the theoretical structure of SiC2?
β Scribed by A.J. Sadlej; G.H.F. Diercksen; J. Oddershede; J.R. Sabin
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 712 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0301-0104
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