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[Welcome to the Wiki pages of Nanomodeling and theoretical chemistry group at UiB!]
Feel free to write on any subject of relevance to the group, be it on programs, methods, techniques, equipment, 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, methods, and projects:
- Automation tools
- Standard States
- DFT-D2
- DFT-D3
- DENOPTIM
- Gamess-US
- Gaussian
- MOE/DOMMIMOE
- MOPAC
- NWCHEM
- PCModel
- Phenylalanine Hydroxylase - simulation results and scripts
- PRIRODA
- SHRINK
- Tinker
- WebMO - web-interface for running calculations
Computational facilities:
Databases:
- Cambridge Structural Database - crystal structures of over 750 k organic and metallorganic small molecules
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:
