The enthalpy of formation of selenocysteine: A G3 and G4 quantum chemical studyThe Journal of Chemical Thermodynamics (2014)
The gas phase enthalpy of formation of the amino acid containing selenium, selenocysteine, has been calculated using G3 and G4 calculations, the values being (−347.7 and −345.2) kJ · mol−1, respectively. The enthalpies of formation of the counterpart amino acids containing oxygen and sulfur, serine and cysteine, have also been calculated. The enthalpies of formation of compounds H2Z, C2H5ZH and (C2H5)2Z (ZO, S, Se) have been calculated and compared with their available experimental values. The agreement between calculated and experimental values gives us confidence in our calculated values for the gas phase enthalpy of formation of selenocysteine.
- Enthalpy of formation,
- G3 and G4 calculations
Publication DateJanuary 6, 2014
Citation InformationRafael Notario, James S. Chickos and Joel F. Liebman. "The enthalpy of formation of selenocysteine: A G3 and G4 quantum chemical study" The Journal of Chemical Thermodynamics Vol. 73 (2014) p. 134 - 139
Available at: http://works.bepress.com/james-chickos/21/