𝔖 Bobbio Scriptorium
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The formation of dibenzodioxocin structures by oxidative coupling. A model reaction for lignin biosynthesis

✍ Scribed by Pirkko Karhunen; Petteri Rummakko; Jussi Sipilä; Gösta Brunow; Ilkka Kilpeläinen


Publisher
Elsevier Science
Year
1995
Tongue
French
Weight
168 KB
Volume
36
Category
Article
ISSN
0040-4039

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Transition structure for the hydride tra
✍ O. Tapia; J. Andrés; R. Cardenas 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 511 KB

The transition structure (TS) for the reaction of formate anion with the hydride acceptor cyclopropenyl cation (CP' ) has been calculated with analytical gradients at an ab initio MO SCF level. The saddle point characterizing the reaction in vacuum was calculated with two basis sets: an extended (9s