黑料传送门

School of Chemistry

Chemistry Computer Class (Windows)

Partly funded by the 

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 Classroom:


ChemOffice / ChemDraw Professional

  • ChemOffice Professional
    The existing licenses were renewed for the 2026 summer semester (April 1, 2026). They are now valid for 5 years, through March 2031. An unlimited number of basic licenses (ChemDraw Prime) and a limited number of professional licenses (ChemDraw Pro) are available. This requires a special access key, which department staff will provide to students and other employees in the working groups as needed. All undergraduate students can and should therefore primarily work with ChemDraw Prime.


    (Anyone whose license expired in March 2026 must re-register.)

    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.
     
  •  (2D chemical structure drawing incl. prediction tools for H- and 13C-NMR spectra, physicochemical properties, etc.)
  • (3D modelling and visualisations, analysis with MM)
  •  (chemical database management system)
  • ChemFinder for Office (structure search  in Word, Excel, and Powerpoint documents and others)

Chemistry Information and Databases

  • Access to in the internet via web browsers
  • ConQuest (Cambridge Structural Database)

Visualisations, Format Conversions

  •  (see above under ChemBioOffice)
  • (conversion of chemical file formats)
  • Chime (chemical structure visualisation plugin for web browser)
  • (imaging of molecule and crystal structures)
  • (a pre- and post processing program of molecular and electronic structures)
  • (molecule viewer)
  • (symmetry elements in chemical structures)
  •  (visualisation of crystal structures)
  • Diamond (Visualisation of molecular and crystal structures)

Computational Chemistry

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

NMR-Spektroscopy

  • (NMR spectrum processing)
  • MNova: Successor of the wellknown MestreC NMR processing program.

Chemistry and Management

  •  (Freeware for carrying out Material Flow Analysis)
  •  (Modeling tool for the calculation of energy and material flows including an open database)
  • (Education version of the widely used life cycle assessment software GaBi)
  • (eco-balances on the basis of Ecoinvent)

Chemical Engineering

  • AspenTech (software suite)

Spreadsheet Programs

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