Browsing by Subject "enthalpy of formation"

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  • A study of the electronic structure and properties of the propargyl radical 
    Turovtsev V.; Chernova E.; Sitnikov V.; Emel’yanenko V.; Orlov Y. (2016)
    © 2016, Pleiades Publishing, Ltd.By means of B3LYP/6-311++G(3df,3pd) the electron density distribution in the propargyl radical CH2CCH is obtained. Within the Quantum Theory of Atoms in Molecules the phenomenon of conjugation ...
  • Thermodynamic functions of lactams in the ideal gas state 
    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 ...
  • Thermodynamic functions of lactones in the gaseous state 
    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 ...
  • Thermodynamic properties of 1,2-cyclohexanediols 
    Emel'Yanenko V.; Verevkin S. (2015)
    © 2015 Pleiades Publishing, Ltd. The enthalpy values for the combustion and formation of crystalline cis and trans-1,2-cyclohexanediols are determined via bomb calorimetry. The vapor pressures of the compounds and their ...
  • Thermodynamic properties of dimethylene urethane 
    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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