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    STUDIA PHYSICA - Issue no. 1 / 2006  
         
  Article:   INFRARED SPECTRUM CALCULATIONS FOR SMALL WATER CLUSTERS.

Authors:  TITUS A. BEU, ANA-MARIA FLORESCU.
 
       
         
  Abstract:  We report calculated infrared spectra for water clusters composed of up to twenty molecules, using a formalism based on second order perturbation theory. We have investigated the frequency domain between 3000 and 4000cm-1, which includes the symmetric and asymmetric bond stretching modes and the overtone of the angle bending mode. The stretch modes are found to be redshifted, while the bending mode is blueshifted  
         
     
         
         
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