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Theoretical studies of proton transfer reactions in 1-methylindene
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
1998 (English)In: ACTA CHEMICA SCANDINAVICA, ISSN 0904-213X, Vol. 52, no 5, 541-548 p.Article in journal (Other scientific) Published
Abstract [en]

The base-catalysed 1,3-proton transfer reactions in 1-methylindene have been studied theoretically in polar (water) and unpolar (cyclohexane) solvents, respectively, for two different choices of bases, namely ammonia and trimethylamine (TMA), using the SM

Place, publisher, year, edition, pages
1998. Vol. 52, no 5, 541-548 p.
Keyword [en]
CATALYZED 1;3-PROTON TRANSFER; AQUEOUS SOLVATION; FREE-ENERGIES; MODEL; REARRANGEMENT; PM3-SM3
Identifiers
URN: urn:nbn:se:uu:diva-41403OAI: oai:DiVA.org:uu-41403DiVA: diva2:69304
Note
Lunell S, Univ Uppsala, Dept Quantum Chem, Thunbergsvagen 3, POB 518, S-75120 Uppsala, Sweden. Univ Uppsala, Dept Quantum Chem, S-75120 Uppsala, Sweden. Univ Uppsala, Dept Chem, S-75120 Uppsala, Sweden.Available from: 2004-09-17 Created: 2004-09-17 Last updated: 2011-01-14

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Agback, MLunell, SHussenius, AMatsson, O

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