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Ticari Yazılımlar |
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ILAB |
Calculate properties online (e.g. vapor pressure, pKa, NMR spectra, IUPAC name,
soluibility, refractive index, ....) |
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Shareware/Freeware |
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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 |
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Chemland |
educational java applets (about 40)
explaining many principles in chemistry |
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ComSpec3D |
Any structure you draw is converted to 3D and the Raman
and IR spectrum is calculated. The vibrational modes are
visualized in VRML. |
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CORINA |
Online 3D structure generator from SMILES strings |
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CyberMol |
Online 3D structure generator from SMILES strings |
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Electron Microscopy Density Visualization
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Internet-based 3D visualization of electron cryomicroscopic densities |
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Enhanced NCI Database Browser |
Search a database of over 250.000 compounds online |
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Fitter |
Fit your data online on the WWW |
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GIFCreator |
GIF/PNG-Creator for 2D Plots of
Chemical Structures |
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MOE |
Molecular-Orbital & Properties, calclulates molecular volume
and surface, simulate heat of formation, HOMO,LUMO
calculated by MOPAC PM3, , ... from a SMILES string |
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Molecular Mass Calculator |
Molecular Mass Calculator |
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OrbVis |
Calculation and 3D-Visualization of MOs |
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Periodic Table |
Periodic table from ChemGlobe:
phisical properties plus history of the elements |
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PETRA |
Parameter Estimation for the Treatment of Reactivity
Applications (online QSPR!) |
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PROLET |
Progressive Iso-surfaces for the WWW using Java and VRML |
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SMILESDraw |
Java applet that lets you draw a structure and gives you the
SMILES string |
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ACD/Structure Drawing Applet |
Java applet that lets
you draw a structure |
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TCPE |
Calculate online properties like critical
properties, vapor pressure, density, surface tension, heat capacity, viscosity,
... just by entering the SMILES string of your compound |
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TeleSpec Infrared Spectra Database |
Collection
infrared spectra |
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TeleSpec IR Simulator |
Calculates IR spectra from any input file are drawn structure |
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Unit Conversion |
İnterconverts an enourmous amount
of units (extremely useful, also very rare units) |
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VRML File Creator for Chemical Structures
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Creates VRML files from any 2D or 3D format many input filters) |
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Kaynak: |
http://www.claessen.net/chemistry/index.html |
