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Welcome to the Wiki pages of the quantum chemistry and molecular modeling group at UiB!
Feel free to write on any subject of relevance to the group, be it on programs, methods, computers, various tips & tricks, and so forth.
More on the policy of these pages.
A sketch of the subjects for which pages will/should be created:
Chemical programs, scripts, databases and computational facilities:
- Automation tools
- Cambridge Structural Database - crystal structures of over 750 k organic and metallorganic small molecules
- DFT-D2
- DFT-D3
- DENOPTIM
- Gamess-US
- Gaussian
- Local computer facilities - Fimm
- MAX-lab I411
- MOE/DOMMIMOE
- MOPAC
- NWCHEM
- PCModel
- Phenylalanine Hydroxylase - simulation results and scripts
- PRIRODA
- Schrödinger
- SHRINK
- Tinker
- WebMO - web-interface for running calculations
Citation tools and other non-chemical scripts and programs:
- EndNote - citation tool for Windows/Mac
- MATLAB - matrix calculations, plotting, etc.
- Python - programming language
- Tips/tricks on Wikipages
Laboratory usage and other information:
