Vibrational frequencies of water clusters

1974 ◽  
Vol 78 (18) ◽  
pp. 1844-1847 ◽  
Author(s):  
Barry R. Lentz ◽  
Arnold T. Hagler ◽  
Harold A. Scheraga
Keyword(s):  
Water Clusters ◽  
Vibrational Frequencies

Theoretical Study of CO and NO Vibrational Frequencies in Cu−Water Clusters and Implications for Cu-Exchanged Zeolites

1997 ◽  
Vol 101 (11) ◽  
pp. 1940-1949 ◽  
Author(s):  
R. Ramprasad ◽  
W. F. Schneider ◽  
K. C. Hass ◽  
J. B. Adams
Keyword(s):  
Theoretical Study ◽  
Water Clusters ◽  
Vibrational Frequencies

scholarly journals Prediction of Accurate Anharmonic Experimental Vibrational Frequencies for Water Clusters, (H2O)n,n= 2−5

2006 ◽  
Vol 110 (1) ◽  
pp. 303-309 ◽  
Author(s):  
Meghan E. Dunn ◽  
Timothy M. Evans ◽  
Karl N. Kirschner ◽  
George C. Shields
Keyword(s):  
Water Clusters ◽  
Vibrational Frequencies

scholarly journals Assessing the accuracy of some popular DFT methods for computing harmonic vibrational frequencies of water clusters

2015 ◽  
Vol 143 (21) ◽  
pp. 214103 ◽  
Author(s):  
J. Coleman Howard ◽  
Jordan D. Enyard ◽  
Gregory S. Tschumper
Keyword(s):  
Water Clusters ◽  
Vibrational Frequencies ◽  
Dft Methods

Approaches for the calculation of vibrational frequencies in liquids: Comparison to benchmarks for azide/water clusters

2006 ◽  
Vol 124 (20) ◽  
pp. 204110 ◽  
Author(s):  
Shuzhou Li ◽  
J. R. Schmidt ◽  
S. A. Corcelli ◽  
C. P. Lawrence ◽  
J. L. Skinner
Keyword(s):  
Water Clusters ◽  
Vibrational Frequencies
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