Chemistry Computer Class (Windows)
Partly funded by the Dr. Barbara Mez-Starck-Foundation (Freiburg)
The Computer Class is located in room O26/198 and is equipped with chemistry relevant software. The pool is available to the students for training and free practicing. To enter the computer class a valid chip card is needed (there are no fixed opening hours).
The Computer Class consists of 30 Windows PCs (Intel Core i5-3470 Quad/CPU 3.20 GHz, 8 GB RAM, 23-inch screen) and one lecturer PC with a permanently connected video projector for presentations and demonstrations.
Lecturers can book the computer class for training .
Software in the Chemistry Computer Class (Windows)
In addition to the usual software the following special software is available in the Chemistry Computer Class:
ChemOffice / ChemDraw Professional
- ChemOffice Professional
Leading program package for chemical desktop applications (for example chemical structure drawing program, tools for the prediction of NMR spectra and physical-chemical properties, nomenclature of organic compounds, 3D modelling and visualization, database management system, retrieval of structural formulas.
- ChemDraw Professinal (2D chemical structure drawing incl. prediction tools for H- and 13C-NMR spectra, physicochemical properties, etc.)
- Chem3D Ultra (3D modelling and visualisations, analysis with MM)
- ChemFinder Ultra (chemical database management system)
- ChemFinder for Office (structure search in Word, Excel, and Powerpoint documents and others)
Chemistry Information and Databases
- Access to Chemical databases in the internet via web browsers
- ConQuest (Cambridge Structural Database)
Visualisations, Format Conversions
- Chem3D Ultra (see above under ChemBioOffice)
- OpenBabel (conversion of chemical file formats)
- Chime (chemical structure visualisation plugin for web browser)
- ORTEP 3v2 (imaging of molecule and crystal structures)
- MOLDEN (a pre- and post processing program of molecular and electronic structures)
- JMol (molecule viewer)
- Webbased Point Group Tutorial (symmetry elements in chemical structures)
- Mercury (visualisation of crystal structures)
- Diamond (Visualisation of molecular and crystal structures)
- Symmetry tutorial
- Gaussian (program package for quantum chemical calculations)
- GaussView (graphical user interface for Gaussian)
- MestReNova LITE (NMR spectrum processing)
- MNova: Successor of the wellknown MestreC NMR processing program.
Chemistry and Management
- STAN (Freeware for carrying out Material Flow Analysis)
- GEMIS (Modeling tool for the calculation of energy and material flows including an open database)
- GaBi (Education version of the widely used life cycle assessment software GaBi)
- OpenLCA (eco-balances on the basis of Ecoinvent)
- AspenTech (software suite)
- OriginPro (scientific graphing and data analysis, including nonlinear regression, statistics, 3D visualisation)