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Basicity and Proton Transfer in Proton Sponges and Related Compounds: An Ab Initio Study

✍ Scribed by Ibon Alkorta; José Elguero


Book ID
111564977
Publisher
Springer
Year
2000
Tongue
English
Weight
200 KB
Volume
11
Category
Article
ISSN
1040-0400

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Ab initio study of proton transfer betwe
✍ Y. Bouteiller; S. Sadi; Z. Latajka; H. Ratajczak 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 546 KB

Proton transfer in the methylnitroatnine-trimethylamine complex has been studied by ab initio methods at the SCF and electron correlation (MP2) levels. At the SCF level there is a double well corresponding to the molecular and to the ionic complex. The double well disappears at the electron correlat