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Top 5% Chemistry Sites Free Databases Online Journals Job Resources Chemical Societies Spectroscopy and Chromatography Publishing Chemistry on the WWW Chemistry Software: Freeware and Commercial Chemistry WWW Yellow Pages Patent Offices and Search Reactions, Mechanisms Other Chemistry WWW Resources


Top 5% Chemistry Sites Software Books Databases Companies Journals Patents Jobs Reactions Web Publishing Spectroscopy Societies Link Collections Patent Attorneys Freischem Rolf Claessen

WWW Applications

Commercial Solutions

  • ILAB: calculate properties online (e.g. vapor pressure, pKa, NMR spectra, IUPAC name, soluibility, refractive index, ....)
  • Free Solutions

  • Acronym Database
  • Biomer: online java applet, model builders for polynucleotides (DNA/RNA), polysaccharides and proteins, interactive molecule editor, AMBER force-field based geometry optimization, simulated annealing with molecular dynamics, and the ability to save gif, jpeg, and ppm images
  • Chemland: educational java applets (about 40) explaining many principles in chemistry
  • ComSpec3D : any structure you draw is converted to 3D and the Raman and IR spectrum is calculated. The vibrational modes are visualized in VRML.
  • CORINA: online 3D structure generator from SMILES strings
  • CyberMol: online 3D structure generator from SMILES strings
  • Electron Microscopy Density Visualization : Internet-based 3D visualization of electron cryomicroscopic densities
  • Enhanced NCI Database Browser: search a database of over 250.000 compounds online
  • Fitter: fit your data online on the WWW
  • GIFCreator: GIF/PNG-Creator for 2D Plots of Chemical Structures
  • MOE: Molecular-Orbital & Properties, calclulates molecular volume and surface, simulate heat of formation, HOMO,LUMO calculated by MOPAC PM3, , ... from a SMILES string
  • Molecular Mass Calculator
  • OrbVis : Calculation and 3D-Visualization of MOs
  • Periodic Table: periodic table from ChemGlobe: phisical properties plus history of the elements
  • PETRA: Parameter Estimation for the Treatment of Reactivity Applications (online QSPR!)
  • Periodic Table
  • PROLET: Progressive Iso-surfaces for the WWW using Java and VRML
  • Science Dictionary
  • SMILESDraw: Java applet that lets you draw a structure and gives you the SMILES string
  • ACD/Structure Drawing Applet: Java applet that lets you draw a structure
  • TCPE: calculate online properties like critical properties, vapor pressure, density, surface tension, heat capacity, viscosity, ... just by entering the SMILES string of your compound
  • TeleSpec Infrared Spectra Database: collection infrared spectra
  • TeleSpec IR Simulator: calculates IR spectra from any input file are drawn structure
  • Unit Conversion: interconverts an enourmous amount of units (extremely useful, also very rare units)
  • VRML File Creator for Chemical Structures : creates VRML files from any 2D or 3D format (many input filters).
  • : VRMLVolumeViewer


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