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Quantum-chemical analysis of the propeller-shaped molecule [4,4,4]-propellahexaene. A study in heavy-atom tunneling

✍ Scribed by Francesco Zerbetto; Marek Z. Zgierski

Book ID
107942472
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
1006 KB
Volume
130
Category
Article
ISSN
0301-0104

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## Abstract The structures of TADDOL‐like α‐conidendrin‐based chiral 1,4‐diols (LIGNOLs) have been studied at molecular mechanics, Hartree‐Fock (HF)/6‐31G\* and DFT/B3LYP/TZVP level of theory. The molecules included were 1,1‐diphenyl, two diastereomers of 1,1,4‐triphenyl, 1,1,4,4‐tetraphenyl, and 1