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How accurately can we calculate molecular CH and CC re distances by DFT methods? Dependence on basis sets and functionals, estimations of experimentally inaccessible re distances and distance-dependent scaling factors for approximations of triple-zeta quality
✍ Scribed by Alexander Neugebauer; Günter Häfelinger
- Book ID
- 114141788
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 487 KB
- Volume
- 578
- Category
- Article
- ISSN
- 0166-1280
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