Hydrogen Bond Rearrangements and Interconversions of H+(CH3OH)4H2O Cluster Isomers

Rearrangement of hydrogen bonds in the protonated methanol−water cluster ion H+(CH3OH)4H2O is analyzed. The analysis, based on ab initio calculations performed at the B3LYP/aug-cc-pVTZ//6-31+G* and MP4/ 6-311+G*//B3LYP/6-31+G* levels of computation, provides information about potential minima, trans...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2002-11, Vol.106 (45), p.10937-10944
Hauptverfasser:	Jiang, J. C., Chaudhuri, C., Lee, Y. T., Chang, H.-C.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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