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Solid-state structure of a 1:1 adduct of 2-t-butylphenol and 3-t-butylsalicylaldehyde

✍ Scribed by Lian-You Li; Zhi-Ming Zhou; Qiao Xu; Cong-Xuan Yu


Publisher
Springer
Year
2005
Tongue
English
Weight
259 KB
Volume
35
Category
Article
ISSN
1572-8854

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The T1 and T2 planar structures of butad
✍ Francesco Zerbetto; Marek Z. Zgierski πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 375 KB

The T, and Tz geometrical structures of planar s-tram and s-cis butadiene are optimized, and the four corresponding force fields are calculated at the multi-configuration self-consistent field level of theory using the 4-3 1 G basis set (MCSCF!4-3 1 G ). The results are found to be very similar for