Browsing by Subject "anharmonic frequencies"

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  • Emel'Yanenko V.; Turovtsev V.; Orlov Y. (2014)
    Thermodynamic functions (enthalpy, entropy, free energy, and heat capacity) of azacycloalkan-2-ones with ring sizes n = 4-8 in the ideal gas state are calculated by means of quantum chemistry and statistical physics, using ...
  • Turovtsev V.; Emel’yanenko V.; Orlov Y. (2016)
    © 2016, Springer Science+Business Media New York.The temperature dependences of the vapor pressures of oxacyclobutan-2-one and oxacyclopentan-2-one were measured by the transpiration method. The entropies of gaseous ...
  • Emel'yanenko V.; Turovtsev V.; Orlov Y. (2015)
    © 2015 Pleiades Publishing, Ltd. Abstract Enthalpies of the combustion and formation of crystalline dimethylene urethane (oxazolidin-2-one) are determined via combustion calorimetry. The enthalpy of sublimation is determined ...

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