caa a22 4500 475821440 CHVBK 20180406123819.0 cr unu---uuuuu 170329e20000601xx s 000 0 eng 10.1007/BF02508634 doi (NATIONALLICENCE)springer-10.1007/BF02508634 Butyrskaya E. aut Consideration of the temperature dependence of infrared spectra in the context of classical specific heat theory [Elektronische Daten] [E. Butyrskaya] The dependence of harmonic frequencies on the temperature and broadening of vibrational energy levels is considered in the context of classical Debye and Einstein specific heat theories. Analytical expressions for the vibrational thermodynamic functions are derived with allowance for these factors. It is shown that consideration of these two factors leads to the fact that the average energy of low-frequency oscillators differs from the statistical temperature, and the high-frequency fluctuations give a nonzero contribution to the specific heat. These expressions are used to calculate the thermodynamic functions of liquid water, and reliable agreement with the experiment is obtained. Kluwer Academic/Plenum Publishers, 2000 Russian Physics Journal Kluwer Academic Publishers-Plenum Publishers 43/6(2000-06-01), 512-519 1064-8887 43:6<512 2000 43 11182 https://doi.org/10.1007/BF02508634 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02508634 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Butyrskaya E. aut NATIONALLICENCE 773 0- Russian Physics Journal Kluwer Academic Publishers-Plenum Publishers 43/6(2000-06-01), 512-519 1064-8887 43:6<512 2000 43 11182 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer