Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools

Topics

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[1] hyperpolarizability

[2] Set multiplicity on Turbomole

[3] Electrostatic potential

[4] EDD visualization

[5] Hirshfeld charges

[6] Question about the output produced with the "t2x" script

[7] Icnomplete generated generated dos_alpha with pop keyword

[8] About calculation of single point energy

[9] Electrostatic potential map

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