Молекулярная спектроскопия Молекулярная спектроскопия
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Figure 6. Equilibrium constants of the bound (left panel) and quasibound (right panel) water dimers derived in this work from fitting the model in Eq. (3) to experimental continua for two different absorption bands. Kb values retrieved from spectroscopic measurements in microwaves by Serov et al., theoretical calculations by Buryak and Vigasin, and modified Kb values from Scribano et al. calculations (see the text for details) are shown for comparison. The error bars represent the error in the experimental data on the derived continuum and error in fitting the model to the experimental data.

  1. Buryak I., Vigasin A.A. Classical calculation of the equilibrium constants for true bound dimers using complete potential energy surface. J Chem Phys 2015;143:234304–8
  2. Scribano Y., Goldman N., Saykally R.J., Leforestier C. Water dimers in the atmosphere III: equilibrium constant from a flexible potential. J Phys Chem. 2006;110:5411-19.
  3. Serov E.A. , Koshelev M.A. , Odintsova T.A. , Parshin V.V. , Tretyakov M.Yu. Rotationally resolved water dimer spectra in atmospheric air and pure water vapour in the 188–258 GHz range. Phys. Chem. Chem. Phys., 2014;16(47):26221–33

INTAS grants 00-189, 03-51-3394, гранты РФФИ 02-07-90139, 05-07-90196, 08-07-00318, 13-07-00411