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* [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list] | * [https://lists.wikimedia.org/mailman/listinfo/mediawiki-announce MediaWiki release mailing list] | ||
<big>'''Welcome to the Wiki pages of | <big>'''Welcome to the Wiki pages of Nanomodeling and theoretical chemistry group at UiB!'''</big> | ||
Feel free to write on any subject of relevance to the group, be it on programs, methods, computers, various tips & tricks, and so forth. | 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.]] | [[More on the policy of these pages.]] | ||
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'''A sketch of the subjects for which pages will/should be created:''' | '''A sketch of the subjects for which pages will/should be created:''' | ||
'''Chemical programs, scripts, | '''Chemical programs, scripts, methods, and projects:''' | ||
* [[Automation tools]] | * [[Automation tools]] | ||
* [[ | * [[Standard States]] | ||
* [[DFT-D2]] | * [[DFT-D2]] | ||
* [[DFT-D3]] | * [[DFT-D3]] | ||
| Line 25: | Line 24: | ||
* [[Gamess-US]] | * [[Gamess-US]] | ||
* [[Gaussian]] | * [[Gaussian]] | ||
* [[MOE/DOMMIMOE]] | * [[MOE/DOMMIMOE]] | ||
* [[MOPAC]] | * [[MOPAC]] | ||
| Line 37: | Line 34: | ||
* [[Tinker]] [[File:CS2_clusters_2_6_30_105_253_496.png|200px]] | * [[Tinker]] [[File:CS2_clusters_2_6_30_105_253_496.png|200px]] | ||
* [[WebMO]] - web-interface for running calculations | * [[WebMO]] - web-interface for running calculations | ||
'''Computational facilities:''' | |||
* [[Local computer facilities - Fimm]] | |||
* [[National computer facilities - NOTUR]] | |||
'''Databases:''' | |||
* [[Cambridge Structural Database]] - crystal structures of over 750 k organic and metallorganic small molecules | |||
'''Citation tools and other non-chemical scripts and programs:''' | '''Citation tools and other non-chemical scripts and programs:''' | ||
| Line 48: | Line 52: | ||
[[File:EthaneSpect.jpg|200px]] | [[File:EthaneSpect.jpg|200px]] | ||
* [[Photoelectron Spectroscopy: Group members]] | * [[Photoelectron Spectroscopy: Group members]] | ||
* [[ | * [[MAX-lab I411]] | ||
[[User:Nkjvj|nkjvj]] ([[User talk:Nkjvj|talk]]) 17:53, 29 January 2016 (CET) | |||
Revision as of 16:53, 29 January 2016
MediaWiki has been successfully installed.
Consult the User's Guide for information on using the wiki software.
Getting started
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
- Schrödinger
- 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:
