Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers†
Abstract
MP2/6-311++G(d,p) calculations have been carried out to investigate the conformation, protonation and the
* Corresponding authors
a
Faculty of Chemistry, Wrocław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland
E-mail:
Wiktor.Zierkiewicz@pwr.wroc.pl
b
Department of Chemistry, University of Leuven, 200F Celestijnenlaan, Heverlee, Belgium
E-mail:
Therese.Zeegers@chem.kuleuven.be
MP2/6-311++G(d,p) calculations have been carried out to investigate the conformation, protonation and the
W. Zierkiewicz, D. Michalska and T. Zeegers-Huyskens, Phys. Chem. Chem. Phys., 2010, 12, 13681 DOI: 10.1039/C0CP00192A
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