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Pure Appl. Chem., 1998, Vol. 70, No. 12, pp. 2301-2307

http://dx.doi.org/10.1351/pac199870122301

Computational chemistry as an analytical tool: thermochemical examples in atmospheric chemistry

O. N. Ventura and Martina Kieninger

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  • Ventura Oscar N., Segovia Marc: Density functional computational thermochemistry: Accurate determination of the enthalpy of formation of perfluoropropane from DFT and ab initio calculations on isodesmic reactions. chem phys letts 2005, 403, 378. <http://dx.doi.org/10.1016/j.cplett.2005.01.041>
  • Gancheff Jorge, Kremer Carlos, Kremer Eduardo, Ventura Oscar N., Molina Jos�� Molina, Dobado Jos�� A., Daza Martha C., Villaveces Jos�� Luis, Vieira Davi Serradella, Degr��ve L��o: Density functional study of technetium and rhenium compounds. Journal of Molecular Structure: THEOCHEM 2002, 580, 107. <http://dx.doi.org/10.1016/S0166-1280(01)00601-7>