Far-infrared band strengths in the water dimer: experiments and calculations.
Most fundamentals modes of the water dimer have been experimentally determined, and the frequencies have been measured in either neon or parahydrogen matrices. The band strengths of all intramolecular and most intermolecular fundamentals of the water dimer have been measured. The results are further corroborated by comparison with the corresponding data for the fully deuterated water dimer. DFT calculations of the mode frequencies and band strength are in qualitative agreement with the experimental observations.
Ceponkus
Justinas
J
Chemical Physics, P.O. Box 124 and MAX- lab, P.O. Box 118, Lund University, SE-22100 Lund, Sweden.
Uvdal
Per
P
Nelander
Bengt
B