It's a kinda magic! Contrary to conventional wisdom that O-H bonds associated with dangling hydrogen atoms and those in the H3O + ion in molecular clusters display characteristic peaks in IR spectra, a dynamic effect makes such peaks disappear, even in the gas phase at low temperatures. This finding helps solve the long-standing problems of magic and antimagic protonated water clusters with 21 (top structures) and 22 (bottom structures) water molecules. (Figure Presented) © 2006 Wiley-VCH Verlag GmbH & Co. KGaAclose86828
Theoretical models of proton hydration with tens of water molecules indicate that the excess proton ...
We report the OH stretching vibrational spectra of size-selected H +(H2O)n clusters through the regi...
For decades, experimentalists and theoreticians have used gas-phase water-ion clusters to probe solu...
To investigate the origin of the instability of the water network consisting of a specific (so-calle...
Author Institution: Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL ...
The PM3 quantum-mechanical method is able to model the magic water clusters (H20),, and (H20)&+. Res...
The long-standing problem of understanding the nature of the "excess proton" in acidified water is s...
Water plays a central role in scientific disciplines ranging from geology to astronomy to biology. Y...
The ab initio atom-centered density-matrix propagation approach and the multistate empirical valence...
Author Institution: Sterling Chemistry Laboratory, Yale University, P.O. Box 208107, New Haven, Conn...
The PM3 quantum-mechanical method is able to model the magic water clusters (H2O)20 and (H2O)21H+. R...
In the present study we adopt a dissociable and polarizable potential model to simulate how a proton...
Author Institution: Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL ...
In this review it is reported about new data on the structure of intermolecular water cyclic associa...
\ud We report the OH stretching vibrational spectra of size-selected H+(H2O)n clusters through the r...
Theoretical models of proton hydration with tens of water molecules indicate that the excess proton ...
We report the OH stretching vibrational spectra of size-selected H +(H2O)n clusters through the regi...
For decades, experimentalists and theoreticians have used gas-phase water-ion clusters to probe solu...
To investigate the origin of the instability of the water network consisting of a specific (so-calle...
Author Institution: Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL ...
The PM3 quantum-mechanical method is able to model the magic water clusters (H20),, and (H20)&+. Res...
The long-standing problem of understanding the nature of the "excess proton" in acidified water is s...
Water plays a central role in scientific disciplines ranging from geology to astronomy to biology. Y...
The ab initio atom-centered density-matrix propagation approach and the multistate empirical valence...
Author Institution: Sterling Chemistry Laboratory, Yale University, P.O. Box 208107, New Haven, Conn...
The PM3 quantum-mechanical method is able to model the magic water clusters (H2O)20 and (H2O)21H+. R...
In the present study we adopt a dissociable and polarizable potential model to simulate how a proton...
Author Institution: Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL ...
In this review it is reported about new data on the structure of intermolecular water cyclic associa...
\ud We report the OH stretching vibrational spectra of size-selected H+(H2O)n clusters through the r...
Theoretical models of proton hydration with tens of water molecules indicate that the excess proton ...
We report the OH stretching vibrational spectra of size-selected H +(H2O)n clusters through the regi...
For decades, experimentalists and theoreticians have used gas-phase water-ion clusters to probe solu...