scholarly journals Excess electron localization sites in neutral water clusters

2006 ◽  
Vol 125 (1) ◽  
pp. 014308 ◽  
Author(s):  
László Turi ◽  
Ádám Madarász ◽  
Peter J. Rossky
Keyword(s):  
Water Clusters ◽  
Excess Electron ◽  
Electron Localization ◽  
Neutral Water

Effect of density on excess electron localization in ethane and propane

1977 ◽  
Vol 66 (1) ◽  
pp. 366-367 ◽  
Author(s):  
Toyoaki Kimura ◽  
Kenji Fueki
Keyword(s):  
Excess Electron ◽  
Electron Localization

ChemInform Abstract: Localization of an Excess Electron in Water Clusters

1986 ◽  
Vol 17 (42) ◽  
Author(s):  
A. WALLQVIST ◽  
D. THIRUMALAI ◽  
B. J. BERNE
Keyword(s):  
Water Clusters ◽  
Excess Electron

scholarly journals Infrared spectroscopy of neutral water clusters at finite temperature: Evidence for a noncyclic pentamer

2020 ◽  
Vol 117 (27) ◽  
pp. 15423-15428 ◽  
Author(s):  
Bingbing Zhang ◽  
Yong Yu ◽  
Yang-Yang Zhang ◽  
Shukang Jiang ◽  
Qinming Li ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectra ◽  
Liquid Water ◽  
Vacuum Ultraviolet ◽  
Water Clusters ◽  
Bulk Water ◽  
Infrared Spectroscopic Study ◽  
Stretching Vibration ◽  
Hydrogen Bonding Networks ◽  
Neutral Water

Infrared spectroscopic study of neutral water clusters is crucial to understanding of the hydrogen-bonding networks in liquid water and ice. Here we report infrared spectra of size-selected neutral water clusters, (H2O)n(n= 3−6), in the OH stretching vibration region, based on threshold photoionization using a tunable vacuum ultraviolet free-electron laser. Distinct OH stretch vibrational fundamentals observed in the 3,500−3,600-cm−1region of (H2O)5provide unique spectral signatures for the formation of a noncyclic pentamer, which coexists with the global-minimum cyclic structure previously identified in the gas phase. The main features of infrared spectra of the pentamer and hexamer, (H2O)n(n= 5 and 6), span the entire OH stretching band of liquid water, suggesting that they start to exhibit the richness and diversity of hydrogen-bonding networks in bulk water.

Structures, relative stability and binding energies of neutral water clusters, (H2O)2–30

2019 ◽  
Vol 43 (33) ◽  
pp. 13020-13037 ◽  
Author(s):  
Alhadji Malloum ◽  
Jean Jules Fifen ◽  
Zoubeida Dhaouadi ◽  
Serge Guy Nana Engo ◽  
Jeanet Conradie
Keyword(s):  
Relative Stability ◽  
Cluster Size ◽  
Water Clusters ◽  
Binding Energies ◽  
Neutral Water

We have revised the structures of neutral water clusters, (H2O)n=2–30, with the affordable M06-2X functional, presenting up to 25 isomers for each cluster size.

On excess electron localization in ethane clusters

1979 ◽  
Vol 70 (8) ◽  
pp. 3997-3998 ◽  
Author(s):  
Toyoaki Kimura ◽  
Kenji Fueki
Keyword(s):  
Excess Electron ◽  
Electron Localization
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