Frequency Shifts in the Hydrogen-Bonded OH Stretch in Halide−Water Clusters. The Importance of Charge Transfer

2000 ◽  
Vol 122 (26) ◽  
pp. 6278-6286 ◽  
Author(s):  
Ward H. Thompson ◽  
James T. Hynes
Keyword(s):  
Charge Transfer ◽  
Water Clusters ◽  
Frequency Shifts ◽  
Hydrogen Bonded

Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion terms

2014 ◽  
Vol 16 (23) ◽  
pp. 11310-11317 ◽  
Author(s):  
Suehiro Iwata
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Water Clusters ◽  
Water Molecules ◽  
Bond Energies ◽  
Dispersion Terms ◽  
Relationship Of ◽  
The Relationship ◽  
Hydrogen Bond Energies ◽  
Hydrogen Bonded

The relationship of the charge-transfer and dispersion terms with the O–O length for every pair of hydrogen bonded water molecules in the isomers of (H2O)17–(H2O)21.

Computer simulation of water clusters containing an H2O–O2 charge-transfer complex

1997 ◽  
Vol 93 (16) ◽  
pp. 2781-2785 ◽  
Author(s):  
D. H. V. Dos Santos ◽  
S. J. Vaughn ◽  
E. V. Akhmatskaya ◽  
M. A. Vincent ◽  
A. J. Masters
Keyword(s):  
Computer Simulation ◽  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Water Clusters
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