| Exercises for ADF and ADF-GUI (difficulty: easy) | |
|---|---|
|
ADF-GUI: - Water - Methane => Neopentane - Mn2CO10 - Ruthenocene - Porphyrin - Ethanol - Carbon-carbon bondtypes |
ADF: - MO levels of H2O - Bonding energy of H2O - Conformational energy of ethane - Vibrational frequencies of H2O - Influence of relativistic effects on the At2 bond - Make new preset |
|
Also have a look at the standard examples | |
|
|
|
|
|