Random triples
| Subject | Object |
|---|---|
| gptkb:ORCA_quantum_chemistry_program | EPR parameters |
| gptkb:ORCA_quantum_chemistry_program | frequency analysis |
| gptkb:ORCA_quantum_chemistry_program | geometry optimization |
| gptkb:ORCA_quantum_chemistry_program | UV/Vis spectra |
| gptkb:ORCA_quantum_chemistry_program | NMR parameters |
| gptkb:ORCA_quantum_chemistry_program | solvation models |
| gptkb:ORCA_quantum_chemistry_program | TD-DFT |