School of Chemistry

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
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    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

Computational Chemistry

  • Gaussian (program package for quantum chemical calculations)
  • GaussView (graphical user interface for Gaussian)

NMR-Spektroscopy

  • 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)

Chemical Engineering

  • AspenTech (software suite)

Spreadsheet Programs

  • OriginPro (scientific graphing and data analysis, including nonlinear regression, statistics, 3D visualisation)
  • Excel