Treatment of Solvation Effects with COSMO

Topics

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[1] parameterization of COSMO

[2] Problem of conformer population (butane)

[3] problems with SCF energy convergence in COSMO

[4] non equilibrium correction using ADC(2)/COSMO

[5] SCF convergence problem when using COSMO + Symmetry

[6] COSMO self-energy

[7] COSMO treatment yields large differences in relative energies

[8] Elimination of imaginary vibrational frequencies in COSMO optimisation

[9] .energy -files for COSMOthermX

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