Hello – welcome to the tutorials part of the site. The tutorials here are written for Zimmerman lab users but may also be useful for external users. For Zimmerman users, proper workstation setup is key:
Here you’ll find these tutorials:
- Surface Growing String Method – the GSM for surface catalyzed reactions
- Molecular Growing String Method – the GSM for molecular reactions
- ZStruct-2
- CASSCF Calculation in MolPro
- Video Tutorials
And here are a few resources that may be useful:
- Molecular/Reaction Descriptors – a list of descriptors that may correlate with reactivity
- Basis Set exchange – for downloading non-standard basis sets
- Spectral Database for Organic Compounds – IR and NMR spectra
- UMich Library Databases – Reaxys, Scifinder, Web Of Science, etc.
- Organic Chemistry Info – gives info on solvents properties, reactions, NMR properties, and pKas
- Bond Energy Databank – contains info about bond dissociation energies and pKas
- Chemistry Reference Resolver – lets you easily look up a reference from literature
- Mayr’s Nucleophilicity databank – gives nucleophilicity and electrophilicity parameters of different nucleo/electrophile