Browsing by Author "Glukhovtsev, M. N."

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    • Article  

      Heats of formation from G2, G2(MP2), and G2(MP2,SVP) total energies 

      Nicolaïdes, Andrew N.; Rauk, A.; Glukhovtsev, M. N.; Radom, L. (1996)
      The translation of G2, G2(MP2), and G2(MP2,SVP) total energies to heats of formation via atomization and formation reaction procedures is evaluated. While both approaches give similar results, the former is shown to perform ...
    • Article  

      Is the most stable gas-phase isomer of the benzenium cation a face-protonated π-complex? 

      Glukhovtsev, M. N.; Pross, A.; Nicolaïdes, Andrew N.; Radom, L. (1995)
      The recent suggestion, based on gas-phase experimental data, that the most stable isomer of protonated benzene has a face-protonated π-complex structure is not supported by our detailed computations which indicate that the ...