J. Chen's scientific contributions
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Publications (2)
Fully optimized calculation and frequency analysis of 209 polybrominated diphenyl sulfide (PBDS) were carried out by using a DFT method at the B3LYP/6-31G* level and their thermodynamic parameters were obtained. The isodemic reactions were designed to calculate standard enthalpy of formation (δfHΘ) and standard free energy of formation (δfGΘ) of PB...
The thermodynamic properties of phenothiazine and 135 polybrominated phenothiazine (PBPTH) in the ideal gas state at 298.15 K and 101.3 kPa have been calculated at the B3LYP/6-31G* level using Gaussian 03 program and their thermodynamic parameters were obtained. The isodesmic reactions were designed to calculate standard enthalpy of formation (ΔfHΘ...
